Basic information
- CAS
13835-30-8- Standard SMILES
CC1=CCC(C(C)CO)CC1- InChIKey
ZTYHGIAOVUPAAH-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
p-menth-1-en-9-ol has been reported in Agathosma betulina, Mentha, and Citrus maxima with data available.
Names & identifiers
- Preferred name
- p-MENTH-1-EN-9-OL
- IUPAC
- 2-(4-methylcyclohex-3-en-1-yl)propan-1-ol
- English name
- (+)-p-Menth-1-en-9-ol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
p-Menth-1-en-9-ol18479-68-02-(4-methylcyclohex-3-en-1-yl)propan-1-ol3-Cyclohexene-1-ethanol, .beta.,4-dimethyl-5F602CF6QFEINECS 242-366-63-Cyclohexene-1-ethanol, beta,4-dimethyl-FEMA NO. 4508DTXSID00864841RefChem:858101DTXCID00813314(+-)-P-MENTH-1-EN-9-OL
Show more names
Menth-1-en-9-olpara-menth-1-ene-9-olbeta,4-dimethyl-3-cyclohexene-1-ethano2-(4-Methyl-3-cyclohexenyl)-1-propanol3-Cyclohexene-1-ethanol, β,4-dimethyl-2-(4-Methyl-3-cyclohexenyl)propane-1-ol
P-MENTH-1-EN-9-OL, (+-)-(+)-p-menth-1-en-9-olp-Menth-1-ene-9-ol13835-75-1p-Mentha-1-en-9-olbeta,4-Dimethylcyclohex-3-ene-1-ethanol(+)-p-Mentha-1-en-9-ol2-(4-Methyl-3-cyclohexen-1-yl)-1-propanol
Database identifiers
- CAS
13835-30-8、13835-75-1、18479-68-0- PubChem CID
- 86753
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.936-0.946
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point
115.00 to 116.00 °C. @ 10.00 mm Hg
115-116 °C (10 mm Hg)
Refractive Index1.483-1.489
Physical DescriptionClear colourless liquid; Fruity herbal aroma
Physicochemical properties
- Boiling point
- 115 · 115-116 °C10 mm Hg(lit.)
- Density
- 0.941 g/mL · 0.941 g/mL at 25 °C(lit.)
- FEMA
- 4508 · 4508 | P-MENTH-1-EN-9-OL
- refractive index
- 20 · n20/D 1.486(lit.)
- Flash point
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 78 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 3-Cyclohexene-1-ethanol, .beta.,4-dimethyl-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H315-H410
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information3-Cyclohexene-1-ethanol, .beta.,4-dimethyl-: ACTIVE
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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