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3,3-DIMETHYL-TETRAHYDRO-PYRAN-2-ONE

3,3-DIMETHYL-TETRAHYDRO-PYRAN-2-ONE structure

CAS No:
4830-05-1
Formula:
C7H12O2
Chemical Name:
3,3-DIMETHYL-TETRAHYDRO-PYRAN-2-ONE
Synonyms:
3,3-Dimethyl-tetrahydro-pyran-2-one;3,3-dimethyltetrahydro-2H-pyran-2-one;3,3-dimethyloxan-2-one;Pyranone, tetrahydrodimethyl-;Dimethylvalerolacton;NSC134778;SCHEMBL441725;CTK2A8565;DTXSID90964046;3,3-dimethyltetrahydropyran-2-one
Categories:
Organic Chemistry > Ethers and Derivatives

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3,3-DIMETHYL-TETRAHYDRO-PYRAN-2-ONE Basic Attributes

Molecular Weight：

128.16900

Exact Mass：

128.08400

NSC Number：

134778

HScode：

2932999099

Characteristics

PSA：

26.30000

XLogP3：

1.34960

Density：

0.967g/cm3

Boiling Point：

206.3ºC at 760 mmHg

Flash Point：

74.8ºC

Refractive Index：

1.428

Safety Information

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 2 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:128.17
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Exact Mass:128.083729621
Monoisotopic Mass:128.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:9
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-DIMETHYL-TETRAHYDRO-PYRAN-2-ONE

Basic Attributes
Characteristics
Safety Information
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