CAS 113882-48-7 4-Pentenoic acid, phenylmethyl ester (HCID 10052035)

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Basic information

CAS: 113882-48-7
Standard SMILES: C=CCCC(=O)OCc1ccccc1
InChIKey: XHZWDEGVEUATPY-UHFFFAOYSA-N
Molecular formula: C12H14O2
Average molar mass: 190.24 g/mol
Monoisotopic mass: 190.09937969

Names & identifiers

Preferred name: 4-Pentenoic acid, phenylmethyl ester
IUPAC: benzyl pent-4-enoate
English name: Benzyl 4-pentenoate
Molecular formula: C12H14O2
Molecular weight: 190.24

Names & synonyms

113882-48-74-Pentenoic acid, phenylmethyl esterDTXSID60434766RefChem:295361DTXCID10385592Benzyl Pent-4-enoateBenzyl 4-pentenoatepent-4-enoic acid benzyl esterPhenylmethyl 4-pentenoateMFCD279416904-Pentenoic acid phenylmethyl esterBenzylPent-4-enoate

Show more names

4-Pentenoic acid benzyl ester

SCHEMBL2465566XHZWDEGVEUATPY-UHFFFAOYSA-NHS-4093SY334912DB-108529CS-0339287E87371F101555

Database identifiers

CAS: 113882-48-7
PubChem CID: 10052035
DTXSID: DTXSID60434766
Nikkaji: J155.205H

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 181

Physicochemical properties

Boiling point: 247 ℃ · 247℃
Density: 1.018 · 1.018
Flash point: 97 ℃ · 97℃
storage temp.: Amber Vial, Refrigerator, Under inert atmosphere
solubility: Chloroform (Slightly)
form: Oil
color: Colourless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338