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trans-Sobrerol

trans-Sobrerol structure

trans-Sobrerol 

structure
  • CAS No:

    42370-41-2

  • Formula:

    C10H18O2

  • Chemical Name:

    trans-Sobrerol

  • Synonyms:

    3-Cyclohexene-1-methanol,5-hydroxy-α,α,4-trimethyl-,(1R,5S)-rel-;3-Cyclohexene-1-methanol,5-hydroxy-α,α,4-trimethyl-,trans-;rel-(1R,5S)-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol;trans-6-Hydroxy-α-terpineol;trans-Sobrerol;dl-Sobrerol;(±)-trans-Sobrerol;DL-trans-p-Menth-6-ene-2,8-diol;d,l-trans-Sobrerol;(±)-trans-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol;32226-54-3

trans-Sobrerol Basic Attributes

170.24900

170.25

255-780-7

7WJQ6A6U4W

DTXSID60185983

Characteristics

40.46000

1.47450

130-130.5 °C

270-271ºC(lit.)

213.3ºC

Safety Information

P305 + P351 + P338

H319

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

Agents that increase mucous excretion. Mucolytic agents, that is drugs that liquefy mucous secretions, are also included here. (See all compounds classified as Expectorants.)

1-methyl-4-(2-hydroxyisopropyl)cyclohex-1,2-en-6-ol

Computed Properties

Molecular Weight:170.25
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:194
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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