Basic information
- CAS
18368-95-1- Standard SMILES
C=C(C)C1=CC=C(C)CC1- InChIKey
XNMPFDIYAMOYRM-UHFFFAOYSA-N- Molecular formula
- C10H14
- Average molar mass
- 134.22 g/mol
- Monoisotopic mass
- 134.10955045
Overview
P-mentha-1,3,8-triene is a monoterpene that is cyclohexa-1,3-diene substituted at positions 1 and 4 by methyl and prop-1-en-2-yl groups respectively. It has a role as a volatile oil component, a plant metabolite and a human xenobiotic metabolite. It is a monoterpene and a cyclohexadiene. It is functionally related to a p-menthane.
Names & identifiers
- Preferred name
- p-Mentha-1,3,8-triene
- IUPAC
- 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
- English name
- p-menthatriene,p-mentha-1,3,8-triene
- Molecular formula
- C10H14
- Molecular weight
- 134.22
Names & synonyms
p-Mentha-1,3,8-triene1,3,8-p-Menthatriene1,3,8-menthatrienep-1,3,8-Menthatrienep-Menta-1,3,8-triene1,3,8-para-Menthatriene1-methyl-4-(prop-1-en-2-yl)cyclohexa-1,3-diene1,3-Cyclohexadiene, 1-methyl-4-(1-methylethenyl)-ZDY5H4QWH31-Isopropenyl-4-methyl-1,3-cyclohexadieneCHEBI:89242DTXSID60171462
Show more names
para-menthatrienep-menthatriene,p-mentha-1,3,8-triene
1-Methyl-4-(1-methylethenyl)-1,3-cyclohexadiene2-Methyl-5-(1-methylethenyl)-1,3-Cyclohexadiene1-Methyl-4-(1-methylethenyl)-1,3-cyclohexadiene, 9CIRefChem:169340DTXCID7093953XNMPFDIYAMOYRM-UHFFFAOYSA-N18368-95-11-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
Database identifiers
- CAS
18368-95-1- PubChem CID
- 176983
- DTXSID
DTXSID60171462- ChEBI
CHEBI:89242- UNII
- ZDY5H4QWH3
- Nikkaji
- J85.999K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 56 °C · 56 °C(Press: 5 Torr)
- Density
- 0.8825 g/cm3 · 0.8825 g/cm3
- Odor
- 100 % · at 100.00 %. turpentine camphor herbal woody
- Odor Type
- terpenic
- LogP
- 4.031 · 4.031 (est)
- FDA UNII
- 5 H4QWH3 · ZDY5H4QWH3
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
Uses1,3,8-p-Menthatriene is a volatile compound that can be extracted from parsley leaves by distillation and isopentane extraction. 1,3,8-p-Menthatriene has a parsley-like aroma[1].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: A monoterpene that is cyclohexa-1,3-diene substituted at positions 1 and 4 by methyl and prop-1-en-2-yl groups respectively.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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