CAS 541-85-5|5-Methyl-3-heptanon

Introduction:Basic information about CAS 541-85-5|5-Methyl-3-heptanon, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name5-Methyl-3-heptanon
CAS Number541-85-5Molecular Weight128.212
Density0.8±0.1 g/cm3Boiling Point159.9±8.0 °C at 760 mmHg
Molecular FormulaC8H16OMelting Point/
MSDSChineseUSAFlash Point43.9±0.0 °C
Symbol
GHS02, GHS07
Signal WordWarning

Names

Name5-methyl-3-heptanone
SynonymMore Synonyms

Chemical & Physical Properties

Density0.8±0.1 g/cm3
Boiling Point159.9±8.0 °C at 760 mmHg
Molecular FormulaC8H16O
Molecular Weight128.212
Flash Point43.9±0.0 °C
Exact Mass128.120117
PSA17.07000
LogP2.32
Vapour Pressure2.4±0.3 mmHg at 25°C
Index of Refraction1.409
InChIKeyPSBKJPTZCVYXSD-UHFFFAOYSA-N
SMILESCCC(=O)CC(C)CC

Toxicological Information

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 Unpublished Report.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 Unpublished Report.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 Unpublished Report.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 Unpublished Report.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

Safety Information

Symbol
GHS02, GHS07
Signal WordWarning
Hazard StatementsH226-H319-H335
Precautionary StatementsP280-P305 + P351 + P338-P337 + P313-P403 + P235
Personal Protective EquipmentEyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXi
Risk Phrases10-36/37
Safety PhrasesS23
RIDADRUN 2271 3/PG 3
WGK Germany1
RTECSMJ7350000
Packaging GroupIII
Hazard Class3.2
HS Code2914190090

Customs

HS Code2914190090
Summary2914190090 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%

Synonyms

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
3-Heptanone, 5-methyl-
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