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3-Phenylpropyl Valerate
[CAS# 5451-88-7]

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CAS#: 5451-88-7
Product: 3-Phenylpropyl Valerate
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Identification
Name 3-Phenylpropyl Valerate
Synonyms Pentanoic Acid 3-Phenylpropyl Ester; Valeric Acid 3-Phenylpropyl Ester; Nsc21873
Molecular Structure CAS#: 5451-88-7, 3-Phenylpropyl Valerate
Molecular Formula C14H20O2
Molecular Weight 220.31
CAS Registry Number 5451-88-7
EINECS 226-690-5
SMILES C1=C(CCCOC(CCCC)=O)C=CC=C1
InChI 1S/C14H20O2/c1-2-3-11-14(15)16-12-7-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKey OKFJJLRWQHMYCM-UHFFFAOYSA-N
Properties
Density 0.98g/cm3 (Cal.)
Boiling point 313.889°C at 760 mmHg (Cal.)
Flash point 119.323°C (Cal.)
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