Mesityl oxide

Modify Date: 2026-06-30 15:32:16

Mesityl oxide structure	Common Name	Mesityl oxide
	CAS Number	141-79-7	Molecular Weight	98.143
	Density	0.8±0.1 g/cm3	Boiling Point	132.7±9.0 °C at 760 mmHg
	Molecular Formula	C₆H₁₀O	Melting Point	−53 °C(lit.)
	MSDS	Chinese USA	Flash Point	30.6±0.0 °C
	Symbol	GHS02, GHS06	Signal Word	Danger

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	4-Methyl-3-penten-2-one
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	0.8±0.1 g/cm3
Boiling Point	132.7±9.0 °C at 760 mmHg
Melting Point	−53 °C(lit.)
Molecular Formula	C₆H₁₀O
Molecular Weight	98.143
Flash Point	30.6±0.0 °C
Exact Mass	98.073166
PSA	17.07000
LogP	1.12
Vapour Pressure	8.8±0.2 mmHg at 25°C
Index of Refraction	1.418
InChIKey	SHOJXDKTYKFBRD-UHFFFAOYSA-N
SMILES	CC(=O)C=C(C)C
Water Solubility	28 G/L (20 ºC)

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Mesityl oxide MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SB4200000

CHEMICAL NAME :: 3-Penten-2-one, 4-methyl-

CAS REGISTRY NUMBER :: 141-79-7

BEILSTEIN REFERENCE NO. :: 1361550

LAST UPDATED :: 199712

DATA ITEMS CITED :: 46

MOLECULAR FORMULA :: C6-H10-O

MOLECULAR WEIGHT :: 98.16

WISWESSER LINE NOTATION :: 1Y1&U1V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Human

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 28,262,1946

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 11/3/1971

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Human

DOSE/DURATION :: 25 ppm

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - conjunctive irritation

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 28,262,1946

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1120 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,896,1991

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 9 gm/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,80,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 710 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,80,1982

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10 gm/m3/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,80,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 354 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85INA8 "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,896,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5150 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,71,1974

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 840 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 56,346,1906

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 500 ppm/8H

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - other changes

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 24,46,1942

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 1400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 56,346,1906

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 710 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 39(4),86,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 ppm/8H/2W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - other changes Related to Chronic Data - death

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 24,46,1942

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 500 ppm/8H/2W-I

REFERENCE :: JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 24,46,1942 *** REVIEWS *** ACGIH TLV-STEL 100 mg/m3 (25 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 60 mg/m3 (15 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 25 ppm (100 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,152,1971 OSHA PEL (Gen Indu):8H TWA 25 ppm (100 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 25 ppm (100 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 25 ppm (100 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 25 ppm (100 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 15 ppm (60 mg/m3);STEL 25 ppm (100 mg/m3) JAN 1993 OEL-BELGIUM:TWA 15 ppm (60 mg/m3);STEL 25 ppm (100 mg/m3) JAN 1993 OEL-DENMARK:TWA 10 ppm (40 mg/m3) JAN 1993 OEL-FINLAND:TWA 25 ppm (100 mg/m3);STEL 75 ppm (300 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 15 ppm (60 mg/m3) JAN 1993 OEL-GERMANY:TWA 25 ppm (100 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 15 ppm (60 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 25 ppm (100 mg/m3) JAN 1993 OEL-POLAND:TWA 20 mg/m3 JAN 1993 OEL-RUSSIA:STEL 1 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 15 ppm (60 mg/m3) JAN 1993 OEL-TURKEY:TWA 25 ppm (100 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 15 ppm (60 mg/m3);STEL 25 ppm (100 mg/m3) JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO MESITYL OXIDE-air:10H TWA 10 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 45360 No. of Facilities: 1062 (estimated) No. of Industries: 9 No. of Occupations: 12 No. of Employees: 6484 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 45360 No. of Facilities: 23 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 362 (estimated) No. of Female Employees: 34 (estimated)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS02, GHS06
Signal Word	Danger
Hazard Statements	H226-H302 + H312-H315-H319-H331-H335
Precautionary Statements	P261-P280-P305 + P351 + P338-P311
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful
Risk Phrases	R10;R20/21/22
Safety Phrases	S25
RIDADR	UN 1229 3/PG 3
WGK Germany	1
RTECS	SB4200000
Packaging Group	III
Hazard Class	3
HS Code	2914190090

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:2158-24-9 4-Methyl-3-pent... CAS#:4325-82-0 3-Penten-2-ol, ... CAS#:67-64-1 Acetone CAS#:108-95-2 Phenol
CAS#:16339-21-2 4-Methyl-4-(met... CAS#:4478-63-1 Ethanone,1-(3,3... CAS#:625-27-4 2-methyl-2-pentene CAS#:65447-92-9 methyl-2 (methy...
CAS#:590-38-5 2-METHYL-3-PENT... CAS#:41321-86-2 ethyl 6-methylp...
DownStream 10
CAS#:112332-52-2 3-bromo-4-methy... CAS#:10528-65-1 2-Pentanone,4-m... CAS#:58343-30-9 3,3,6,3',3',6'-... CAS#:50817-80-6 2-Chloro-4-meth...
CAS#:2951-10-2 4-chloro-6-meth... CAS#:4404-98-2 2-Pentanol,4-am... CAS#:491-09-8 Piperitenone CAS#:4705-09-3 4-isopropyliden...
CAS#:4127-47-3 1,1,2,2-Tetrame... CAS#:472-41-3 Phenol,4-(3,4-d...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2914190090
Summary	2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

This table lists relevant public references with title, journal and publication metadata for this compound.

Synthesis of modified homo-N-nucleosides from the reactions of mesityl nitrile oxide with 9-allylpurines and their influence on lipid peroxidation and thrombin inhibition

Bioorg. Med. Chem. Lett. 19 , 6433-6, (2009)

The synthesized compounds act as lipid peroxidation inhibitors and potent thrombin inhibitors.

The strongest isolable acid.

Angew. Chem. Int. Ed. Engl. 43(40) , 5352-5, (2004)

Preparation and evaluation of an imidazole-coated capillary column for the electrophoretic separation of aromatic acids.

J. Chromatogr. A. 897(1-2) , 383-92, (2000)

An imidazole-coated capillary column for electrophoresis has been prepared by means of organosilanization. With mesityl oxide as neutral marker, the results indicated that the electroosmotic flow of t...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841

Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788

Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813

Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG

Total 187, Current Page 1 of 19

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

EINECS 205-502-5

Mesityl oxide

MFCD00008900

2-methyl-2-penten-4-one

4-Methyl-3-pentene-2-one

4-Methyl-3-penten-2-one

4-methylpent-3-en-2-one

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the InChIKey of 4-Methyl-3-penten-2-one?

A: InChIKey of 4-Methyl-3-penten-2-one is SHOJXDKTYKFBRD-UHFFFAOYSA-N.

Q: What is the SMILES notation of 4-Methyl-3-penten-2-one?

A: SMILES notation of 4-Methyl-3-penten-2-one is CC(=O)C=C(C)C.

Q: What is the polar surface area (PSA) of 4-Methyl-3-penten-2-one?

A: Polar surface area (PSA) of 4-Methyl-3-penten-2-one is 17.07000.

Q: What is the molecular weight of 4-Methyl-3-penten-2-one?

A: Molecular weight of 4-Methyl-3-penten-2-one is 98.143.

Q: What are the downstream products of 4-Methyl-3-penten-2-one?

A: Related downstream products(CAS) of 4-Methyl-3-penten-2-one: 112332-52-2;10528-65-1;58343-30-9;50817-80-6;2951-10-2;4404-98-2;491-09-8;4705-09-3;4127-47-3;472-41-3.

Q: How is the water solubility of 4-Methyl-3-penten-2-one?

A: Water solubility of 4-Methyl-3-penten-2-one: 28 G/L (20 ºC).

Q: What is the CAS number of 4-Methyl-3-penten-2-one?

A: CAS number of 4-Methyl-3-penten-2-one is 141-79-7.

Q: What is the boiling point of 4-Methyl-3-penten-2-one?

A: Boiling point of 4-Methyl-3-penten-2-one is 132.7±9.0 °C at 760 mmHg.

Q: What is the safety information for 4-Methyl-3-penten-2-one?

A: Safety information for 4-Methyl-3-penten-2-one: S25.

Q: What English synonyms does 4-Methyl-3-penten-2-one have?

A: English synonyms of 4-Methyl-3-penten-2-one: EINECS 205-502-5, Mesityl oxide, MFCD00008900, 2-methyl-2-penten-4-one, 4-Methyl-3-pentene-2-one, 4-Methyl-3-penten-2-one, 4-methylpent-3-en-2-one.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Henan Tianfu Chemical Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Mesityl oxide
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Mesityl oxide
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: isopropyl alcohol-tech
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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Mesityl oxide

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.