Basic information
- CAS
23635-14-5- Standard SMILES
C=C(C)[C@@H]1CC=C(C(=O)[O-])CC1- InChIKey
CDSMSBUVCWHORP-MRVPVSSYSA-M- Molecular formula
- C10H13O2-
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.09155465
Names & identifiers
- Preferred name
- (4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
- IUPAC
- (4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylate
- English name
- (-)-PERILLIC ACID
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
DTXSID00946454(4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate(-)-PERILLIC ACIDL(-)-Perillic acid,95%(S)-(-)-Perillic acid 95%(S)-(?)-Perillic acid(S)-4-Isopropenylcyclohexene-1-carboxylic acid(4S)-4-prop-1-en-2-ylcyclohexene-1-carboxylicaci(S)-4-(1-Propen-2-yl)cyclohex-1-enecarboxylic Acid(S)-4-(Prop-1-en-2-yl)cyclohex-1-enecarboxylic acid(4S)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylic acid(S)-4-(1-Methylethenyl)-1-cyclohexene-1-carboxylic acid
Database identifiers
- CAS
23635-14-5- PubChem CID
- 6992081
- DTXSID
DTXSID00946454- Nikkaji
- J1.187.416I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- -1
- Complexity
- 233
Physicochemical properties
- Melting point
- 129 · 129-131 °C(lit.)
- Boiling point
- 284.9 · 284.9±40.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- White to off-white solid.
- pka
- 4.94 · 4.94±0.40(Predicted)
- color
- White to off-white
- optical activity
- 20 · [α]20/D 102°, c = 2 in methanol
- Cosmetics Ingredients Functions
- ANTIMICROBIAL
- InChI
- 1S/C10H14O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h5,8H,1,3-4,6H2,2H3,(H,11,12)/t8-/m1/s1
- InChIKey
- CDSMSBUVCWHORP-MRVPVSSYSA-N
- SMILES
- CC(=C)[C@H]1CCC(=CC1)C(O)=O
- LogP
- 2.96 · 2.960 (est)
- CAS DataBase Reference
- 23635 · 23635-14-5
- UNSPSC Code
- 12352002 · 12352002
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29162000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
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.
General Description(S)-(-)-Perillic acid is a perillyl derivative with potent antimicrobial and anticancer activity. It can be prepared via bio-oxidation of R-(+)-limonene.
Suppliers42 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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