6-Methylhept-5-en-2-one

Modify Date: 2025-08-24 21:17:29

6-Methylhept-5-en-2-one Structure
6-Methylhept-5-en-2-one structure
Common Name 6-Methylhept-5-en-2-one
CAS Number 110-93-0 Molecular Weight 126.196
Density 0.8±0.1 g/cm3 Boiling Point 173.3±9.0 °C at 760 mmHg
Molecular Formula C8H14O Melting Point -67.1 °C
MSDS Chinese USA Flash Point 50.6±0.0 °C
Symbol GHS02
GHS02
Signal Word Warning

 Use of 6-Methylhept-5-en-2-one


Sulcatone is an endogenous metabolite.

 Names

Name sulcatone
Synonym More Synonyms

 6-Methylhept-5-en-2-one Biological Activity

Description Sulcatone is an endogenous metabolite.
Related Catalog
Target

Human Endogenous Metabolite

 Chemical & Physical Properties

Density 0.8±0.1 g/cm3
Boiling Point 173.3±9.0 °C at 760 mmHg
Melting Point -67.1 °C
Molecular Formula C8H14O
Molecular Weight 126.196
Flash Point 50.6±0.0 °C
Exact Mass 126.104462
PSA 17.07000
LogP 2.09
Vapour Pressure 1.3±0.3 mmHg at 25°C
Index of Refraction 1.430
InChIKey UHEPJGULSIKKTP-UHFFFAOYSA-N
SMILES CC(=O)CCC=C(C)C
Storage condition Flammables area
Water Solubility insoluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ9700000
CHEMICAL NAME :
5-Hepten-2-one, 6-methyl-
CAS REGISTRY NUMBER :
110-93-0
BEILSTEIN REFERENCE NO. :
1741705
LAST UPDATED :
199712
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C8-H14-O
MOLECULAR WEIGHT :
126.22
WISWESSER LINE NOTATION :
1Y1U3V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,859,1975 ** 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 :
MDZEAK Medizin und Ernaehrung. (Stuttgart, Fed. Rep. Ger.) V.1-13, 1959-72. Discontinued. Volume(issue)/page/year: 8,244,1967
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,859,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2410 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(8),52,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,859,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T1525 No. of Facilities: 3192 (estimated) No. of Industries: 24 No. of Occupations: 19 No. of Employees: 27570 (estimated) No. of Female Employees: 12744 (estimated)

 Safety Information

Symbol GHS02
GHS02
Signal Word Warning
Hazard Statements H226
Personal Protective Equipment Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
Hazard Codes F+
Risk Phrases R10
Safety Phrases S16
RIDADR UN 1224 3/PG 3
WGK Germany 1
RTECS MJ9700000
Packaging Group III
Hazard Class 3
HS Code 2914190090

 Synthetic Route

 Customs

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%

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 Synonyms

2-methyl-hept-2-ene-6-one
6-methylhept-5-en-one
6-Methyl-hepten-2-one
6-Methyl-5-hepten-2-one
2-methylhept-2-en-6-one
MFCD00008905
6-methylhept
METHYLHEPTENON
2-Methyl-2-hepten-6-one
5-Hepten-2-one, 6-methyl-
6-methylhept-5-en
6-methylhept-5-en-2-one
FEMA 2707
methyl-5-hepten-2-one
6-methyl-2-keto-hept-5-ene
Prenylacetone
METHYL HEPTENONE
EINECS 203-816-7
6-Methyl-5-heptene-2-one
6-Methyl-D5-hepten-2-one
Methyl hepten
sulcatone
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