(+)-ISOPULEGOL
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(+)-ISOPULEGOL
structure -
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CAS No:
104870-56-6
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Formula:
C10H18O
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Chemical Name:
(+)-ISOPULEGOL
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Synonyms:
(1S,2R,5S)-2-ISOPROPENYL-5-METHYLCYCLOHEXANOL;(1S,3S,4R)-P-MENTH-8-EN-3-OL;(+)-ISOPULEGOL;terpenestandard;(1S,3S,4R)-p-Menth-8-en-3-ol,(1S,2R,5S)-2-Isopropenyl-5-methylcyclohexanol;(1S,2R,5S)-5-Methyl-2-(prop-1-en-2-yl)cyclohexanol
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CAS No:
Characteristics
20.2
2.35960
0.912 g/mL at 25 °C(lit.)
91 °C12 mm Hg(lit.)
172 °F
n 20/D 1.469(lit.)
Safety Information
NA 1993 / PGIII
3
22-36/37/38
26-36/37/39
Xn
P301 + P312 + P330-P305 + P351 + P338
H302-H315-H319-H335
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:154.25
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:154.135765193
Monoisotopic Mass:154.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:151
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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