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2-Isobutyrylcyclohexanone

2-Isobutyrylcyclohexanone structure

CAS No:
39207-65-3
Formula:
C10H16O2
Chemical Name:
2-Isobutyrylcyclohexanone
Synonyms:
2-(2-Methyl-1-oxopropyl)cyclohexanone;2-Isobutyrylcyclohexanone;2-ISOBUTYRYLCYCLOHEXANONE,2-(2-METHYL-1-OXOPROPYL)CYCLOHEXANONE;2-Isobutyrylcyclohexanone, 99% (~96% enol form);2-Isobutyrylcyclohexanone, 96% (~96% enol form);2-(2-Methylpropanoyl)cyclohexan-1-one;2-(2-Methylpropanoyl)cyclohexanone;2-ISOBYTYRYLCYCLOHEXANONE
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Isobutyrylcyclohexanone Basic Attributes

Molecular Weight：

168.23

Exact Mass：

168.115029749

DSSTox ID：

DTXSID90466818

Characteristics

Density：

1.0076 g/mL at 25 °C

Melting Point：

38°C

Boiling Point：

266℃

Refractive Index：

n20/D 1.5006

PKA：

10.83±0.20

Safety Information

wgk germany：

hazard class code：

22-36

safety instructions：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:168.23
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:168.115029749
Monoisotopic Mass:168.115029749
Topological Polar Surface Area:34.1
Heavy Atom Count:12
Complexity:194
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-Isobutyrylcyclohexanone

CAS No.: 39207-65-3

Content: 99.00%

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Guide of 2-Isobutyrylcyclohexanone

Basic Attributes
Characteristics
Safety Information
Computed Properties
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