Basic information
- CAS
7492-40-2- Standard SMILES
CC(=O)OCCCCc1ccccc1- InChIKey
NRLAFFPEVBOYCM-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- Benzylpropyl acetate
- IUPAC
- 4-phenylbutyl acetate
- English name
- Benzenebutanol, 1-acetate
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
Benzylpropyl acetate4-phenylbutyl acetate7492-40-2PhenylbutylacetatAcetic acid 4-phenylbutyl esterorb2299386SCHEMBL5605990SCHEMBL8475583SCHEMBL8896400DTXSID60311745acetic acid-(4-phenyl-butyl ester)NSC245114
Show more names
Benzenebutanol, 1-acetateAlverine Impurity 1Q: What is Alverine Impurity 1 Q: What is the CAS Number of Alverine Impurity 1
TN7375FS-8556NSC-245114
Database identifiers
- CAS
7492-40-2- PubChem CID
- 316751
- DTXSID
DTXSID60311745- Nikkaji
- J155.106J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 160
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Boiling point
- 285 · 285.0±19.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers8 total
成都彼样生物科技有限公司18108052721 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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