Basic information
- CAS
7504-66-7- Standard SMILES
C=CCc1ccc(OC(=O)CC)c(OC)c1- InChIKey
GZKIAPLXSBWPRY-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-propanoate
- IUPAC
- (2-methoxy-4-prop-2-enylphenyl) propanoate
- English name
- 4-allyl-2-methoxyphenyl propionate
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
Eugenyl propionate7504-66-7Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-propanoateEINECS 231-357-2Phenol, 2-methoxy-4-(2-propenyl)-, propanoateNSC 407878Phenol, 4-allyl-2-methoxy-, propionateDTXSID10884393RefChem:172765DTXCID501023834Phenol, 4-allyl-2-methoxy-, propionate (8CI)Eugenol propionate
Show more names
Propionic acid 4-allyl-2-methoxyphenyl ester
(2-methoxy-4-prop-2-enylphenyl) propanoate4-Allyl-2-methoxyphenyl propionateNSC-407878SY2QPG4GGN2-methoxy-4-(prop-2-en-1-yl)phenyl propanoateCHEMBL4171737SCHEMBL16131104GZKIAPLXSBWPRY-UHFFFAOYSA-N
Database identifiers
- CAS
7504-66-7- PubChem CID
- 82014
- DTXSID
DTXSID10884393- ChEMBL
CHEMBL4171737- UNII
- SY2QPG4GGN
- EC Number
- 231-357-2
- Nikkaji
- J307.847G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- LogP
- 3.219 · 3.219 (est)
- FDA UNII
- 2 QPG4GGN · SY2QPG4GGN
- EPA Substance Registry System
- 2 · Phenol, 2-methoxy-4-(2-propenyl)-, propanoate (7504-66-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-methoxy-4-(2-propen-1-yl)-, 1-propanoate: INACTIVE
Suppliers2 total
上海问彩新材料科技有限公司15721586846 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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