Basic information
- CAS
5454-21-7- Standard SMILES
CCCCCCC(=O)OCc1ccccc1- InChIKey
UEDDAJQIHUEZCJ-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- Phenylmethyl heptanoate
- IUPAC
- benzyl heptanoate
- English name
- benzyl heptanoate
- Molecular formula
- C14H20O2
- Molecular weight
- 220.3074
Names & synonyms
Benzyl heptanoate5454-21-7DTXSID20202963Phenylmethyl heptanoateRefChem:1095053DTXCID50125454226-705-5Heptanoic acid, phenylmethyl esterheptanoic acid benzyl esterBenzyl n-heptanoateEINECS 226-705-5Benzyl heptanoate #
Show more names
AI3-30742SCHEMBL2457043SCHEMBL6050225SCHEMBL6971651SCHEMBL27281585NSC23059NSC 23059NSC-23059
Database identifiers
- CAS
5454-21-7- PubChem CID
- 79554
- DTXSID
DTXSID20202963- EC Number
- 226-705-5
- Nikkaji
- J210.506C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Odor
- 100 % · at 100.00 %. mild fruity apricot herbal sage
- Odor Type
- fruity
- LogP
- 4.545 · 4.545 (est)
Chemistry & industry
Suppliers4 total
吉良化学21-62165282 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…