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4-Isopropylcyclohexanone

4-Isopropylcyclohexanone structure

CAS No:
5432-85-9
Formula:
C9H16O
Chemical Name:
4-Isopropylcyclohexanone
Synonyms:
Cyclohexanone,4-(1-methylethyl)-;Cyclohexanone,4-isopropyl-;4-(1-Methylethyl)cyclohexanone;4-Isopropylcyclohexanone;NSC 21125;4-Isopropylcyclohexan-1-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4-Isopropylcyclohexanone Basic Attributes

Molecular Weight：

140.226

Exact Mass：

140.22

EC Number：

226-592-2

NSC Number：

21125

DSSTox ID：

DTXSID4063878

HScode：

2914299000

Characteristics

PSA：

17.1

XLogP3：

2.2

Density：

0.9175 g/cm³ @ Temp: 18 °C

Melting Point：

32.57°C (estimate)

Boiling Point：

214-214.5 °C

Flash Point：

80°C

Refractive Index：

1.458

Water Solubility：

Soluble in alcohol. Insoluble in water.

Safety Information

hazard class code：

37/38-41

safety instructions：

S23-S24/25

Marks：

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 90 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Isopropylcyclohexanone Use and Manufacturing

Manufacturing Info：

Cyclohexanone, 4-(1-methylethyl)-: ACTIVE

Computed Properties

Molecular Weight:140.22
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:140.120115130
Monoisotopic Mass:140.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:117
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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