CAS 471-01-2|3,5,5-trimethylcyclohex-3-en-1-one

Introduction:Basic information about CAS 471-01-2|3,5,5-trimethylcyclohex-3-en-1-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3,5,5-trimethylcyclohex-3-en-1-one
CAS Number471-01-2Molecular Weight138.20700
Density0.905g/cm3Boiling Point189.2ºC at 760mmHg
Molecular FormulaC9H14OMelting Point/
MSDS/Flash Point64.2ºC

Names

Name3,5,5-trimethylcyclohex-3-en-1-one
SynonymMore Synonyms

Chemical & Physical Properties

Density0.905g/cm3
Boiling Point189.2ºC at 760mmHg
Molecular FormulaC9H14O
Molecular Weight138.20700
Flash Point64.2ºC
Exact Mass138.10400
PSA17.07000
LogP2.32180
Vapour Pressure0.578mmHg at 25°C
Index of Refraction1.455
InChIKeyLKOKKQDYMZUSCG-UHFFFAOYSA-N
SMILESCC1=CC(C)(C)CC(=O)C1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW7800000
CHEMICAL NAME :
3-Cyclohexen-1-one, 3,5,5-trimethyl-
CAS REGISTRY NUMBER :
471-01-2
LAST UPDATED :
199703
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H14-O
MOLECULAR WEIGHT :
138.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0521606
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0521606 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2950 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Gastrointestinal - other changes Liver - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0521606

Synonyms

3,3,5-trimethyl-cyclohex-4-en-1-one
3,5,5-TRIMETHYL-3-CYCLOHEXEN-1-ONE
3,5,5-trimethylcyclohexa-3-en-1-one
3-Cyclohexen-1-one,3,5,5-trimethyl
3,5,5-trimethylcyclohexa-3-en-one
trimethyl-3,5,5 cyclohexene-3 one-1
3,5,5-Trimethyl-3-cyclohexen-1-one
EINECS 207-434-1
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