Myrtenic acid
Basic information
- CAS
19250-17-0- Standard SMILES
CC1(C)C2CC=C(C(=O)O)C1C2- InChIKey
XPHVDOXZJRTIMV-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Overview
Myrtenic acid is a monoterpenoid that is 6,6-dimethylbicyclo[3.1.1]hept-2-ene substituted by a carboxy group at position 2. It has a role as a plant metabolite, a human xenobiotic metabolite and a human urinary metabolite. It is a monoterpenoid, a bridged compound and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to an alpha-pinene.
Names & identifiers
- Preferred name
- Myrtenic acid
- IUPAC
- 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid
- English name
- 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid
- Molecular formula
- C10H14O2
- Molecular weight
- 166.21696
Names & synonyms
6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acidMyrtenic acidmyrtenoic acidEINECS 242-920-7CHEBI:25459DTXSID209409146,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxylic acidMyrtenoate6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxylate6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylateRefChem:160498DTXCID40929423
Show more names
Bicyclo[3.1.1]hept-2-ene-2-carboxylicacid,6,6-dimethyl-
242-920-7Myrtenate19250-17-0Pina-2-ene-10-oic acidBicyclo[3.1.1]hept-2-ene-2-carboxylic acid, 6,6-dimethyl-MFCD20620912C11940SCHEMBL15798196
Database identifiers
- CAS
19250-17-0- PubChem CID
- 86840
- DTXSID
DTXSID20940914- ChEBI
CHEBI:25459- EC Number
- 242-920-7
- Nikkaji
- J14.071F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- LogP
- 2.643 · 2.643 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: Myrtenic acid is a monoterpenoid that is 6,6-dimethylbicyclo[3.1.1]hept-2-ene substituted by a carboxy group at position 2. It has a role as a human xenobiotic metabolite, a human urinary metabolite and a plant metabolite. It is a monoterpenoid, an alpha,beta-unsaturated monocarboxylic acid and a bridged compound. It is functionally related to an alpha-pinene.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…