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1-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-

HCID 86752
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
18479-65-7
Standard SMILES
CC1CC=C(C(C)(C)O)CC1
InChIKey
HMXMWOXFKFLOGK-UHFFFAOYSA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.13576519

Overview

4-Menthen-8-ol has been reported in Achillea grandifolia, Satureja hortensis, and Artemisia capillaris with data available.

Names & identifiers

Preferred name
1-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-
IUPAC
2-(4-methylcyclohexen-1-yl)propan-2-ol
English name
alpha,alpha,4-trimethylcyclohexene-1-methanol
Molecular formula
C10H18O
Molecular weight
154.24932

Names & synonyms

18479-65-7p-menth-3-en-8-ol1-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-EINECS 242-365-0DTXSID308850491-Cyclohexene-1-methanol, alpha,alpha,4-trimethyl-RefChem:431633DTXCID201024457alpha,alpha,4-Trimethylcyclohexene-1-methanol58409-60-22-(4-methylcyclohexen-1-yl)propan-2-olEINECS 261-239-6
Show more names
p-Mentha-3-ene-8-olα,α,4-Trimethyl-1-cyclohexene-1-methanol1-Cyclohexene-1-methanol, α,α,4-trimethyl-
2-(4-METHYLCYCLOHEX-1-EN-1-YL)PROPAN-2-OLSCHEMBL6757586Alpha,alpha,4-trimethyl-cyclohexenemethanolDB-243029NS00052282

Database identifiers

CAS
18479-65-7、58409-60-2
PubChem CID
86752
DTXSID
DTXSID30885049
EC Number
242-365-0、261-239-6
Nikkaji
J222.214K

Properties

Computed structural properties

XLogP
2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
168

Physicochemical properties

Boiling point
105 °C · 105 °C(Press: 20 Torr)
Density
0.934 · 0.934±0.06 g/cm3(Predicted)
pka
14.98 · 14.98±0.29(Predicted)
EPA Substance Registry System
1 · 1-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl- (18479-65-7)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-: INACTIVE

Suppliers1 total

Aston Chemical[email protected]

Related reactions

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New reaction record

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes