Basic information
- CAS
99-84-3- Standard SMILES
C=C1CC=C(C(C)C)CC1- InChIKey
SCWPFSIZUZUCCE-UHFFFAOYSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Overview
Beta-terpinene is one of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and gamma-terpinene being the others). In beta-terpinene the double bonds are at the 1(7)- and 3-positions of the p-menthane skeleton. beta-Terpinene has no known natural source.
Names & identifiers
- Preferred name
- beta-Terpinene
- IUPAC
- 4-methylidene-1-propan-2-ylcyclohexene
- English name
- p-mentha-1(7),3-diene
- Molecular formula
- C10H16
- Molecular weight
- 136.23
Names & synonyms
beta-Terpinenep-Mentha-1(7),3-diene99-84-3DV74J5RW4YCHEBI:591594-methylidene-1-(propan-2-yl)cyclohex-1-ene4-methylidene-1-propan-2-ylcyclohexenebeta-TerpinenRefChem:917104202-793-0b-terpineneCyclohexene, 4-methylene-1-(1-methylethyl)-
Show more names
1(7),3-p-Menthadienep-Mentha-3,1(7)-diene1-Isopropyl-4-methylene-1-cyclohexene
.beta.-Terpinen.beta.-Terpinene4-methylene-1-(1-methylethyl)cyclohexene4-Methylene-1-(1-methylethyl)-CyclohexeneUNII-DV74J5RW4YBeta terpinenebeta -terpinene1-Isopropyl-4-methylenecyclohexene
Database identifiers
- CAS
99-84-3- PubChem CID
- 66841
- DTXSID
DTXSID60243931- ChEBI
CHEBI:59159- UNII
- DV74J5RW4Y
- EC Number
- 202-793-0
- Nikkaji
- J4.973E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 185.55 °C · 185.55°C (rough estimate)
- Density
- 0.838 · 0.8380
- refractive index
- 1.4754 · 1.4754
- LogP
- 4.147 · 4.147 (est)
- FDA UNII
- 74 J5RW4Y · DV74J5RW4Y
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers2 total
昆山圣亚贸易有限公司[email protected]
Triveni chemicals[email protected]
Additional notes
DefinitionChEBI: Beta-terpinene is one of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and gamma-terpinene being the others). In beta-terpinene the double bonds are at the 1(7)- and 3-positions of the p-menthane skeleton. beta-Terpinene has no known natural source.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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