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trans-Sobrerol

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
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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trans-Sobrerol Basic Attributes

Molecular Weight：

170.24900

Exact Mass：

170.25

EC Number：

255-780-7

UNII：

7WJQ6A6U4W

DSSTox ID：

DTXSID60185983

Characteristics

PSA：

40.46000

XLogP3：

1.47450

Melting Point：

130-130.5 °C

Boiling Point：

270-271ºC(lit.)

Flash Point：

213.3ºC

Safety Information

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|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

MeSH：

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

MeSH Entry Terms：

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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trans-Sobrerol

Unit Price: $23000-23500 /KG EXW

CAS No.: 42370-41-2

Grade: Industrial Grade

Content: 98%

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