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16587-71-6

16587-71-6 structure

16587-71-6 structure

Name: 4-tert-pentylcyclohexanone
Chemical Name: 4-(2-methylbutan-2-yl)cyclohexan-1-one
CAS Number: 16587-71-6
Molecular Formula: C₁₁H₂₀O
Molecular Weight: 168.27600
Create Date: 2018-09-09 10:11:00
Modify Date: 2025-08-26 18:43:31

Name	4-(2-methylbutan-2-yl)cyclohexan-1-one
Synonyms	ISOPENTYLCYCLOHEXANONE MFCD00013798 4-(tert-Pentyl)cyclohexanone CYCLOHEXANONE,4-tert-PENTYL ORIVONE 4-(1,1-dimethylpropyl)-cyclohexanon 4-(2-Methyl-sec-butyl)cyclohexanone EINECS 240-642-0 4-TERT-PENTYLCYCLOHEXANONE Cyclohexanone, 4-(1,1-dimethylpropyl) P-TERT-AMYL CYCLOHEXANONE 4-tert.-Amylcyclohexanone 4-(tert-pentyl)cyclohexan-1-one Cyclohexanone, 4-tert-pentyl 4-tert-pentyl-cyclohexanon 4-t-pentylcyclohexanone 4-TERT-AMYLCYCLOHEXANONE 4-[2-(2-methylbutyl)]cyclohexanone PA TERTIY AMYL CYCLOHEXANONE 4-(1,1-Dimethylpropyl)cyclohexanone~4-[2-(2-Methylbutyl)]cyclohexanone~4-tert-Pentylcyclohexanone 4-tert-Amylcyclohexanone 4-(1,1-dimethylpropyl)-Cyclohexanone 4-T-AMYLCYCLOHEXANONE 4-(1,1-Dimethylpropyl)cyclohexanone MIVION p-t-amyl cyclohexanone 4-(TERT.-PENTYL)-CYCLOHEXANONE

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

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

Risk Phrases	R36/38
Safety Phrases	S26-S36/37/39
RTECS	GW1960000
HS Code	2914299000

5349-51-9 structure

5349-51-9

~%

16587-71-6 structure

16587-71-6

Literature: US2163284 , ;

80-46-6 structure

80-46-6

~%

16587-71-6 structure

16587-71-6

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

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%

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