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4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE

4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE structure

CAS No:
10276-21-8
Formula:
C9H14O2
Chemical Name:
4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE
Synonyms:
ISOPHORONE OXIDE;4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE;7-Oxabicyclo[4.1.0]heptan-2-one,4,4,6-trimethyl-(6CI,7CI,8CI,9CI);2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone;2,3-Epoxy-3,5,5-trimethylcyclohexane-1-one;7-Oxabicyclo[4.1.0]heptan-2-one, 4,4,6-triMethyl-;3,5,5-Trimethyl-2,3-epoxy-1-cyclohexanone2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one;3,5,5-TriMecthyl-2,3-epoxy cyclohexanon
Categories:
Flavors and Fragrances > Synthetic Fragrances

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4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE Basic Attributes

Molecular Weight：

154.21

Exact Mass：

154.099380

NSC Number：

63367

HScode：

29142990

Characteristics

PSA：

29.6

XLogP3：

0.79

Density：

0.994 g/mL at 25 °C(lit.)

Boiling Point：

75-76 °C6 mm Hg(lit.)

Flash Point：

182 °F

Refractive Index：

n 20/D 1.453(lit.)

Vapor Pressure：

0.212mmHg at 25°C

Safety Information

Transport codes：

UN 1993 / PGIII

wgk germany：

hazard class code：

20/21/22-40

safety instructions：

23-36

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:154.21
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Exact Mass:154.099379685
Monoisotopic Mass:154.099379685
Topological Polar Surface Area:29.6
Heavy Atom Count:11
Complexity:220
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 10276-21-8

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Content: 99%

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4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE

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Guide of 4,4,5A-TRIMETHYLPERHYDRO-1-BENZOXIREN-2-ONE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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