CAS 98-53-3|4-tert-Butylcyclohexanone

Introduction：Basic information about CAS 98-53-3|4-tert-Butylcyclohexanone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles2
7. Synonyms

Common Name	4-tert-Butylcyclohexanone
CAS Number	98-53-3	Molecular Weight	154.249
Density	0.9±0.1 g/cm3	Boiling Point	225.1±0.0 °C at 760 mmHg
Molecular Formula	C₁₀H₁₈O	Melting Point	47-50 °C(lit.)
MSDS	ChineseUSA	Flash Point	96.1±0.0 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	4-tert-Butylcyclohexanone
Synonym	More Synonyms

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
InChIKey	YKFKEYKJGVSEIX-UHFFFAOYSA-N
SMILES	CC(C)(C)C1CCC(=O)CC1

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

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%

Articles2

On the synergistic catalytic properties of bimetallic mesoporous materials containing aluminum and zirconium: the Prins cyclisation of citronellal.

Chemistry 17 , 2077-88, (2011)

Bimetallic three-dimensional amorphous mesoporous materials, Al-Zr-TUD-1 materials, were synthesised by using a surfactant-free, one-pot procedure employing triethanolamine (TEA) as a complexing reage...

Defect-Engineered Metal-Organic Frameworks.

Angew. Chem. Int. Ed. Engl. 54 , 7234-54, (2015)

Defect engineering in metal-organic frameworks (MOFs) is an exciting concept for tailoring material properties, which opens up novel opportunities not only in sorption and catalysis, but also in contr...

Synonyms

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

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