Gamma-Terpineol
Basic information
- CAS
586-81-2- Standard SMILES
CC(C)=C1CCC(C)(O)CC1- InChIKey
NNRLDGQZIVUQTE-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.1357652
Overview
Gamma-Terpineol is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- Gamma-Terpineol
- IUPAC
- 1-methyl-4-propan-2-ylidenecyclohexan-1-ol
- English name
- gamma-Terpineol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
gamma-Terpineol586-81-21-methyl-4-(propan-2-ylidene)cyclohexan-1-ol1-methyl-4-propan-2-ylidenecyclohexan-1-olCyclohexanol, 1-methyl-4-(1-methylethylidene)-5PH9U7XEWSp-menth-4(8)-en-1-olDTXSID2060416RefChem:142358DTXCID1042443209-584-3.gamma.-Terpineol
Show more names
1-methyl-4-propan-2-ylidene-cyclohexan-1-ol
1-Methyl-4-(1-methylethylidene)cyclohexan-1-olEINECS 209-584-3UNII-5PH9U7XEWSg-Terpineolgamma-terpinoleneMFCD000654084-isopropylidene-1-methyl-cyclohexanol1-methyl-4-(propan-2-ylidene)cyclohexanol
Database identifiers
- CAS
586-81-2- PubChem CID
- 11467
- DTXSID
DTXSID2060416- ChEBI
CHEBI:81151- UNII
- 5PH9U7XEWS
- EC Number
- 209-584-3
- Nikkaji
- J9.439K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Experimental & physicochemical properties
Solubilityvery slightly
Boiling Point218.00 to 219.00 °C. @ 760.00 mm Hg
Melting Point68 - 70 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 69 °C · 69 °C
- Boiling point
- 218.2 · 218.2±29.0 °C(Predicted)
- Density
- 0.941 · 0.941±0.06 g/cm3(Predicted)
- pka
- 15.2 · 15.20±0.20(Predicted)
- Odor
- 100 % · at 100.00 %. terpineol lilac
- Odor Type
- pine
- LogP
- 2.613 · 2.613 (est)
- FDA UNII
- 5 PH9U7XEWS · 5PH9U7XEWS
- NIST Chemistry Reference
- 1 · Cyclohexanol, 1-methyl-4-(1-methylethylidene)-(586-81-2)
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 138 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Cyclohexanol, 1-methyl-4-(1-methylethylidene)-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 1-methyl-4-(1-methylethylidene)-: ACTIVE
Applications
UsesGamma-Terpineol will remain a rarity on the ( research shelf, and the perfumer may only smell it once in a while, when the analytical chemist calls him in for identification of some brief "whiffs" of odorous air, exhausted from the Gas-Liquid-Chromatograph vent.
Preparation methods
PreparationGamma-Terpineol is prepared from Mesityloxide plus Acrylonitrile, followed by hydrolysis, cyclization, decarboxylation and Methyl Grignard reaction.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Gamma-Terpineol is a p-menthane monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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