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3,6-Dimethyl-4-octyne-3,6-diol

3,6-Dimethyl-4-octyne-3,6-diol structure

CAS No:
78-66-0
Formula:
C10H18O2
Chemical Name:
3,6-Dimethyl-4-octyne-3,6-diol
Synonyms:
4-Octyne-3,6-diol,3,6-dimethyl-;3,6-Dimethyl-4-octyne-3,6-diol;Surfynol 82;2,5-Diethyl-3-hexyne-2,5-diol;Surfynol 85;3,6-Dihydroxy-3,6-dimethyl-4-octyne;NSC 1025;NSC 406738;Tuyile FS 82
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CBI

3,6-Dimethyl-4-octyne-3,6-diol Basic Attributes

Molecular Weight：

170.249

Exact Mass：

170.25

EC Number：

201-131-8

UNII：

GFO2D7A38Q|EMI4DW1DPY

NSC Number：

406738|1025

DSSTox ID：

DTXSID1041475

Characteristics

PSA：

40.46000

XLogP3：

1.35

Density：

1.0±0.1 g/cm3

Melting Point：

54 °C

Boiling Point：

215-220 °C

Flash Point：

85.8±13.0 °C

Refractive Index：

1.486

Safety Information

hazard class code：

safety instructions：

S22-S36/37

RTECS Number：

RI2650000

Marks：

Precautionary statement(s)：

P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501

Hazard Statements：

H302

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 65 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,6-Dimethyl-4-octyne-3,6-diol Use and Manufacturing

Manufacturing Info：

4-Octyne-3,6-diol, 3,6-dimethyl-: ACTIVE

Use Classification：

Cosmetics -> Emulsifying; Solvent

Computed Properties

Molecular Weight:170.25
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:190
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 78-66-0

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Guide of 3,6-Dimethyl-4-octyne-3,6-diol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3,6-Dimethyl-4-octyne-3,6-diol

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