Basic information
- CAS
7694-45-3- Standard SMILES
C=C(C)C1CC=C(C(=O)O)CC1- InChIKey
CDSMSBUVCWHORP-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Overview
Perillic acid is a cyclohexenecarboxylic acid and an alpha,beta-unsaturated monocarboxylic acid. It has a role as an antineoplastic agent, a mouse metabolite and a human metabolite. It is a conjugate acid of a perillate.
Names & identifiers
- Preferred name
- Perillic Acid
- IUPAC
- 4-prop-1-en-2-ylcyclohexene-1-carboxylic acid
- English name
- Perillic acid
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
Perillic acid7694-45-34-Isopropenylcyclohex-1-enecarboxylic acidPKS69DU4ZQ4-prop-1-en-2-ylcyclohexene-1-carboxylic acid4-(1-methylethenyl)-1-cyclohexene-1-carboxylic acid4-isopropenylcyclohex-1-ene carboxylic acid4-(2-propenyl)-1-cyclohexane-1-carboxylic acidCHEBI:36999RefChem:928851231-709-5(-)-perillic acid
Show more names
C10H14O2(S)-(-)-PERILLIC ACIDPerilla acidL(-)-PERILLIC ACID4-(1-Methylvinyl)-1-cyp-Mentha-1,8-diene-7-oic acid4-ISOPROPENYLCYCLOHEXENE-1-CARBOXYLIC ACID
4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid1-Cyclohexene-1-carboxylicacid, 4-(1-methylethenyl)-4-Isopropenyl-1-cyclohexene-1-carboxylic acid1-Cyclohexene-1-carboxylic acid, 4-(1-methylethenyl)-SR-01000076076EINECS 231-709-5PerillicacidDTXSID60864105
Database identifiers
- CAS
7694-45-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
LogP1.428
Melting Point60 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 129 · 129-131 °C(lit.)
- Boiling point
- 234.44 °C · 234.44°C (rough estimate)
- Density
- 0.9817 · 0.9817 (rough estimate)
- refractive index
- 1.4859 · 1.4859 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 4.94 · 4.94±0.40(Predicted)
- LogP
- 2.96 · 2.960 (est)
- CAS DataBase Reference
- 7694 · 7694-45-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
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
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Applications
Usesinhibits posttranslational cys isoprenylation, blocks G-protein
UsesPerillic Acid is an apoptosis inducing agent via an increase in p21, Bax, and caspase-3 in cells.A possible biomarker of Parkinson’s disease.
Suppliers17 total
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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