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Sobrerol

Sobrerol structure

CAS No:
498-71-5
Formula:
C10H18O2
Chemical Name:
Sobrerol
Synonyms:
3-Cyclohexene-1-methanol,5-hydroxy-α,α,4-trimethyl-;p-Menth-6-ene-2,8-diol;5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol;Sobrerol;6,8-Carvomenthenediol;Pinol hydrate;Sobrepin;NSC 408849;5-(2-Hydroxypropan-2-yl)-2-methylcyclohex-2-enol;5947-39-7;6252-24-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Sobrerol is a p-menthane monoterpenoid.

Sobrerol Basic Attributes

Molecular Weight：

170.252

Exact Mass：

170.25

EC Number：

207-868-1

NSC Number：

408849|74541|43652

ATC Code：

R - Respiratory system

HScode：

2906199090

Characteristics

PSA：

40.5

XLogP3：

2.12920

Density：

1.051g/cm3

Melting Point：

130 °C

Boiling Point：

120 °C @ Press: 1.2 Torr

Flash Point：

120.9ºC

Water Solubility：

32g/L(15 ºC)

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P501

Hazard Statements：

H302

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
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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498-71-5

CAS No.: 498-71-5

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