CAS 16587-71-6|4-tert-pentylcyclohexanone

Introduction:Basic information about CAS 16587-71-6|4-tert-pentylcyclohexanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name4-tert-pentylcyclohexanone
CAS Number16587-71-6Molecular Weight168.27600
Density0.92Boiling Point124-125°C 16mm
Molecular FormulaC11H20OMelting Point96°C
MSDS/Flash Point124-125°C/16mm

Names

Name4-(2-methylbutan-2-yl)cyclohexan-1-one
SynonymMore Synonyms

Chemical & Physical Properties

Density0.92
Boiling Point124-125°C 16mm
Melting Point96°C
Molecular FormulaC11H20O
Molecular Weight168.27600
Flash Point124-125°C/16mm
Exact Mass168.15100
PSA17.07000
LogP3.18190
Vapour Pressure0.0649mmHg at 25°C
Index of Refraction1.4690
InChIKeyDCSKAMGZSIRJAQ-UHFFFAOYSA-N
SMILESCCC(C)(C)C1CCC(=O)CC1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW1960000
CHEMICAL NAME :
Cyclohexanone, 4-tert-pentyl-
CAS REGISTRY NUMBER :
16587-71-6
BEILSTEIN REFERENCE NO. :
2240475
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C11-H20-O
MOLECULAR WEIGHT :
168.31
WISWESSER LINE NOTATION :
L6VTJ DX2&1&1

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: 12,819,1974 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4700 mg/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: 12,819,1974
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
4700 mg/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: 12,819,1974

Safety Information

Risk PhrasesR36/38
Safety PhrasesS26-S36/37/39
RTECSGW1960000
HS Code2914299000

Customs

HS Code2914299000
Summary2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Synonyms

4-t-pentylcyclohexanone
EINECS 240-642-0
MFCD00013798
4-TERT-PENTYLCYCLOHEXANONE
4-tert-Amylcyclohexanone
p-t-amyl cyclohexanone
4-(tert-Pentyl)cyclohexanone
CYCLOHEXANONE,4-tert-PENTYL
4-(TERT.-PENTYL)-CYCLOHEXANONE
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