5-Methyl-3-heptanon

Modify Date: 2025-08-21 15:11:29

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

Name	5-methyl-3-heptanone
Synonym	More Synonyms

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

5-Methyl-3-heptanon MSDS(Chinese)

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 Unpublished Report.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 Unpublished Report.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 Unpublished Report.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 Unpublished Report.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)

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

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%

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

ethylsec-amylketone

5-methylheptan-3-one

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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

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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

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 5-Methyl-3-heptanon
Price: ￥658.0/100mg
Purity: 98.0%
Delivery: 3 Day
Contact: Liu jia
Email: 2130147988@qq.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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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.