4-tert-Butylcyclohexanone

Names

[ CAS No. ]:
98-53-3

[ Name ]:
4-tert-Butylcyclohexanone

[Synonym ]:
4-(tert-butyl)cyclohexanone
4-t-Butylcyclohexanone
4-tert-butyl-cyclohexanone
L6VTJ DX1&1&1
4-(tert-butyl)cyclohexan-1-one
4-(2-Methyl-2-propanyl)cyclohexanone
Cyclohexanone, 4-(1,1-dimethylethyl)-
4-tert-butylcyclohexan-1-one
EINECS 202-678-5
Cyclohexanone, 4-tert-butyl-
4-(t-Butyl)cyclohexanone
p-tert-Butylcyclohexanone
MFCD00001642

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
225.1±0.0 °C at 760 mmHg

[ Melting Point ]:
47-50 °C(lit.)

[ Molecular Formula ]:
C₁₀H₁₈O

[ Molecular Weight ]:
154.249

[ Flash Point ]:
96.1±0.0 °C

[ Exact Mass ]:
154.135757

[ PSA ]:
17.07000

[ LogP ]:
2.48

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.456

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GW1140000

CHEMICAL NAME :: Cyclohexanone, p-tert-butyl-

CAS REGISTRY NUMBER :: 98-53-3

BEILSTEIN REFERENCE NO. :: 0507309

LAST UPDATED :: 199712

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C10-H18-O

MOLECULAR WEIGHT :: 154.28

WISWESSER LINE NOTATION :: L6VTJ DX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

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: 13,729,1975

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: 13,729,1975

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
GW1140000

[ HS Code ]:
2914299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

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