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Home > Encyclopedia > 3,6-Dimethyl-4-octyne-3,6-diol

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

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

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

Description

CBI

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

170.249

170.25

201-131-8

GFO2D7A38Q|EMI4DW1DPY

406738|1025

DTXSID1041475

Characteristics

40.46000

1.35

1.0±0.1 g/cm3

54 °C

215-220 °C

85.8±13.0 °C

1.486

Safety Information

22

S22-S36/37

RI2650000

Xn

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

H302

|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

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

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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