5-Methyl-3-heptanon

Modify Date: 2026-07-05 16:06:06

5-Methyl-3-heptanon structure	Common Name	5-Methyl-3-heptanon
	CAS Number	541-85-5	Molecular Weight	128.212
	Density	0.8±0.1 g/cm3	Boiling Point	159.9±8.0 °C at 760 mmHg
	Molecular Formula	C₈H₁₆O	Melting Point	N/A
	MSDS	Chinese USA	Flash Point	43.9±0.0 °C
	Symbol	GHS02, GHS07	Signal Word	Warning

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

Name	5-methyl-3-heptanone
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	159.9±8.0 °C at 760 mmHg
Molecular Formula	C₈H₁₆O
Molecular Weight	128.212
Flash Point	43.9±0.0 °C
Exact Mass	128.120117
PSA	17.07000
LogP	2.32
Vapour Pressure	2.4±0.3 mmHg at 25°C
Index of Refraction	1.409
InChIKey	PSBKJPTZCVYXSD-UHFFFAOYSA-N
SMILES	CCC(=O)CC(C)CC

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

5-Methyl-3-heptanon MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MJ7350000

CHEMICAL NAME :: 3-Heptanone, 5-methyl-

CAS REGISTRY NUMBER :: 541-85-5

BEILSTEIN REFERENCE NO. :: 0506345

LAST UPDATED :: 199712

DATA ITEMS CITED :: 28

MOLECULAR FORMULA :: C8-H16-O

MOLECULAR WEIGHT :: 128.24

WISWESSER LINE NOTATION :: 2Y1&1V2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

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 Unpublished Report.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

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3500 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 Unpublished Report.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 :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3484 ppm/8H

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 - mouse

DOSE/DURATION :: 3800 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 :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3484 ppm/4H

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 :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >16 gm/kg

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

REFERENCE :: SHELL* Shell Chemical Company. (P.O. Box 4320, Houston, TX 77210) Volume(issue)/page/year: MSDS 540-1

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 2500 mg/kg

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 16,631,1967 *** REVIEWS *** ACGIH TLV-TWA 131 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 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 25 ppm (130 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: 3,104,1971 OSHA PEL (Gen Indu):8H TWA 25 ppm (130 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 (130 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 (Fed Cont):8H TWA 25 ppm (130 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 25 ppm (130 mg/m3) JAN 1993 OEL-BELGIUM:TWA 25 ppm (131 mg/m3) JAN 1993 OEL-DENMARK:TWA 25 ppm (130 mg/m3) JAN 1993 OEL-FINLAND:TWA 25 ppm (130 mg/m3);STEL 40 ppm (210 mg/m3) JAN 1993 OEL-FRANCE:TWA 25 ppm (130 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 25 ppm (130 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 25 ppm (130 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 25 ppm (130 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 ETHYL AMYL KETONE-air:10H TWA 25 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 - 83448 No. of Facilities: 1523 (estimated) No. of Industries: 26 No. of Occupations: 22 No. of Employees: 19792 (estimated)

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

Symbol	GHS02, GHS07
Signal Word	Warning
Hazard Statements	H226-H319-H335
Precautionary Statements	P280-P305 + P351 + P338-P337 + P313-P403 + P235
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xi
Risk Phrases	10-36/37
Safety Phrases	S23
RIDADR	UN 2271 3/PG 3
WGK Germany	1
RTECS	MJ7350000
Packaging Group	III
Hazard Class	3.2
HS Code	2914190090

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

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

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

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Total 126, Current Page 1 of 13

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

ethylsec-amylketone

5-methylheptan-3-one

ISOAMYL ETHYL KETONE

EINECS 208-793-7

rac-5-methyl-heptan-3-one

5-Methyl-3-heptanon

3-METHYL-5-HEPTANONE

3-Heptanone,5-methyl

5-Methylheptan-3-on

Ethyl Amyl Ketone

5-Methyl-3-heptanone

5-Méthyl-3-heptanone

MFCD00009340

ETHYL ISOAMYL KETONE

5-methyl-heptan-3-one

Amyl Ethyl Ketone

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

Q: What is the LogP of 5-methyl-3-heptanone?

A: LogP of 5-methyl-3-heptanone is 2.32.

Q: What is the boiling point of 5-methyl-3-heptanone?

A: Boiling point of 5-methyl-3-heptanone is 159.9±8.0 °C at 760 mmHg.

Q: What is the polar surface area (PSA) of 5-methyl-3-heptanone?

A: Polar surface area (PSA) of 5-methyl-3-heptanone is 17.07000.

Q: What is the SMILES notation of 5-methyl-3-heptanone?

A: SMILES notation of 5-methyl-3-heptanone is CCC(=O)CC(C)CC.

Q: What is the molecular formula of 5-methyl-3-heptanone?

A: Molecular formula of 5-methyl-3-heptanone is C8H16O.

Q: What is the InChIKey of 5-methyl-3-heptanone?

A: InChIKey of 5-methyl-3-heptanone is PSBKJPTZCVYXSD-UHFFFAOYSA-N.

Q: What is the CAS number of 5-methyl-3-heptanone?

A: CAS number of 5-methyl-3-heptanone is 541-85-5.

Q: What English synonyms does 5-methyl-3-heptanone have?

A: English synonyms of 5-methyl-3-heptanone: ethylsec-amylketone, 5-methylheptan-3-one, ISOAMYL ETHYL KETONE, EINECS 208-793-7, rac-5-methyl-heptan-3-one, 5-Methyl-3-heptanon, 3-METHYL-5-HEPTANONE, 3-Heptanone,5-methyl, 5-Methylheptan-3-on, Ethyl Amyl Ketone, 5-Methyl-3-heptanone, 5-Méthyl-3-heptanone, MFCD00009340, ETHYL ISOAMYL KETONE, 5-methyl-heptan-3-one, Amyl Ethyl Ketone.

Q: What is the English name of 5-methyl-3-heptanone?

A: The English name of 5-methyl-3-heptanone is 5-methyl-3-heptanone.

Q: What is the safety information for 5-methyl-3-heptanone?

A: Safety information for 5-methyl-3-heptanone: S23.

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: 5-Methyl-3-heptanon
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3-Heptanone, 5-methyl-
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: 541-85-5
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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5-Methyl-3-heptanon

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