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(+)-trans-Sobrerol

(+)-trans-Sobrerol structure

CAS No:
38235-58-4
Formula:
C10H18O2
Chemical Name:
(+)-trans-Sobrerol
Synonyms:
3-Cyclohexene-1-methanol,5-hydroxy-α,α,4-trimethyl-,(1S,5R)-;3-Cyclohexene-1-methanol,5-hydroxy-α,α,4-trimethyl-,(1S-trans)-;(1S,5R)-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-methanol;(+)-trans-Sobrerol;58437-94-8

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(+)-trans-Sobrerol Basic Attributes

Molecular Weight：

170.25

Exact Mass：

170.25

EC Number：

253-844-9

UNII：

3209BKF16V

DSSTox ID：

DTXSID80191627

Characteristics

PSA：

40.46000

XLogP3：

1.47450

Density：

1.051±0.06 g/cm3

Melting Point：

149 °C

Boiling Point：

270.5±0.0 °C(Predicted)

PKA：

14.69±0.60

Safety Information

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.

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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Guide of (+)-trans-Sobrerol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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