Basic information
- CAS
122-44-1- Standard SMILES
O=C(Cc1ccccc1)OCCCc1ccccc1- InChIKey
KBXZBPLAQDTVAW-UHFFFAOYSA-N- Molecular formula
- C17H18O2
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.13067981
Names & identifiers
- Preferred name
- 3-Phenylpropyl phenylacetate
- IUPAC
- 3-phenylpropyl 2-phenylacetate
- English name
- 3-phenylpropyl phenylacetate
- Molecular formula
- C17H18O2
- Molecular weight
- 254.32
Names & synonyms
3-Phenylpropyl phenylacetate122-44-13-phenylpropyl 2-phenylacetateBenzeneacetic acid, 3-phenylpropyl esterNSC-6688EINECS 204-544-1phenylpropyl phenylacetate7LGA3DUX7W3-Phenylpropyl benzeneacetate3-Phenylpropyl phenylacetate #SCHEMBL3396096DTXSID30153457
Show more names
phenyl propyl phenyl acetatePhenylacetic acid 3-phenylpropyl ester
NSC6688NSC 6688Phenylacetic acid, 3-phenylpropyl esterAcetic acid, phenyl-, 3-phenylpropyl esterNS00023989
Database identifiers
- CAS
122-44-1- PubChem CID
- 67148
- DTXSID
DTXSID30153457- UNII
- 7LGA3DUX7W
- EC Number
- 204-544-1
- Nikkaji
- J297.775C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 383.7 · 383.7±21.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- form
- slightly viscous liquid
- color
- Colorless
- Odor
- 100 % · at 100.00 %. balsam hyacinth rose green spicy
- Odor Type
- floral
- LogP
- 4.481 · 4.481 (est)
Chemistry & industry
Applications
Uses3-Phenylpropyl phenylacetate finds some use in perfume formulations as a fixative and blender, mainly in Honeysuckle, Lily, Narcisse, Cassie, Mimosa, Honey bases (“miel”) and Oriental fragrance types. It performs very well with the floral carbinols and the Cinnamates, with the “rose alcohols” and the Nitromusks or the Indane musks, etc.
Uses3-Phenylpropyl phenylacetate is prepared by alcohol interchange reaction from Methylphenylacetate and Phenylpropylalcohol.
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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