4-tert-pentylcyclohexanone

Modify Date: 2025-08-26 18:43:31

4-tert-pentylcyclohexanone Structure
4-tert-pentylcyclohexanone structure
 Common Name 4-tert-pentylcyclohexanone
CAS Number 16587-71-6 Molecular Weight 168.27600
Density 0.92 Boiling Point 124-125°C 16mm
Molecular Formula C11H20O Melting Point 96°C
MSDS N/A Flash Point 124-125°C/16mm

 Names

Name 4-(2-methylbutan-2-yl)cyclohexan-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.92
Boiling Point 124-125°C 16mm
Melting Point 96°C
Molecular Formula C11H20O
Molecular Weight 168.27600
Flash Point 124-125°C/16mm
Exact Mass 168.15100
PSA 17.07000
LogP 3.18190
Vapour Pressure 0.0649mmHg at 25°C
Index of Refraction 1.4690
InChIKey DCSKAMGZSIRJAQ-UHFFFAOYSA-N
SMILES CCC(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 Phrases R36/38
Safety Phrases S26-S36/37/39
RTECS GW1960000
HS Code 2914299000

 Synthetic Route

4-tert-amylcyclohexanol structure

4-tert-amylcycl...

CAS#:5349-51-9

~%

4-tert-pentylcyclohexanone Structure

4-tert-pentylcy...

CAS#:16587-71-6

Literature: US2163284 , ;
4-tert-Amylphenol structure

4-tert-Amylphenol

CAS#:80-46-6

~%

4-tert-pentylcyclohexanone Structure

4-tert-pentylcy...

CAS#:16587-71-6

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 32, # 5 p. 1467 - 1473,1455 - 1460

 Customs

HS Code 2914299000
Summary 2914299000. 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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