5-Methyl-2-(1-methylethenyl)cyclohexanol
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5-Methyl-2-(1-methylethenyl)cyclohexanol
structure -
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CAS No:
7786-67-6
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Formula:
C10H18O
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Chemical Name:
5-Methyl-2-(1-methylethenyl)cyclohexanol
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Synonyms:
Cyclohexanol,5-methyl-2-(1-methylethenyl)-;p-Menth-8-en-3-ol;5-Methyl-2-(1-methylethenyl)cyclohexanol;NSC 231369;2-Isopropenyl-5-methylcyclohexanol;5-Methyl-2-(1-methylvinyl)cyclohexanol
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CAS No:
Description
clear colorless to light yellow liquid Similarly to menthol, isopulegol has three asymmetric carbon atoms and, therefore, four stereoisomers, each occurring as a pair of enantiomers. All isomers are colorless liquids with a more or less minty, herbaceous odor. The isopulegols occur in a number of essential oils, often in optically active or partly racemic form. Since citronellal readily cyclizes to isopulegol, the latter occurs frequently in citronellal-containing essential oils, in which it is
Colourless liquid, minty-herbaceous, bitter-sweet, harsh, camphoraceous odour
5-Methyl-2-(1-methylethenyl)cyclohexanol Basic Attributes
154.24932
154.25
232-102-8
231369
DTXSID3044461
29061900
Characteristics
20.23000
2.35960
Colourless liquid, minty-herbaceous, bitter-sweet, harsh, camphoraceous odour
0.9407 g/cm3 @ Temp: 0 °C
90 °C @ Press: 10 Torr
78°C
1.472
slightly soluble in water; soluble in oils
LD50 oral in rat: 1030uL/kg
Safety Information
20/21/22-36/37/38
26-36/37/39
OT0190000
P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 108 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 1801 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H351: Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P260, P264, P270, P281, P308+P313, P314, P405, and P501
5-Methyl-2-(1-methylethenyl)cyclohexanol Use and Manufacturing
It is formed by cyclization of citronellal with boric acid and ultraviolet light.
GB 2760-96 stipulates the allowable food flavors. Mainly used to prepare mint and berry flavors.
Cyclohexanol, 5-methyl-2-(1-methylethenyl)-: ACTIVE
EPA Safer Chemical Functional Use Classes -> Fragrances|Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents
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
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Methyl-2-(1-methylethenyl)cyclohexanol
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