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Benzenebutanoic Acid Methyl Ester
[CAS# 2046-17-5]

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Identification
Classification Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aromatic carboxylic acid ester
Name Benzenebutanoic Acid Methyl Ester
Synonyms 4-Phenylbutanoic Acid Methyl Ester; 4-Phenylbutyric Acid Methyl Ester; Nsc133895
Molecular Structure CAS#: 2046-17-5, Benzenebutanoic Acid Methyl Ester
Molecular Formula C11H14O2
Molecular Weight 178.23
CAS Registry Number 2046-17-5
EINECS 218-067-1
FEMA 2739
SMILES C1=C(CCCC(OC)=O)C=CC=C1
InChI 1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey YRYZGVBKMWFWGT-UHFFFAOYSA-N
Properties
Density 1.017g/cm3 (Cal.)
Boiling point 149-151°C (Expl.)
258.921°C at 760 mmHg (Cal.)
Flash point 112.221°C (Cal.)
Refractive index 1.483-1.489 (Expl.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for Benzenebutanoic Acid Methyl Ester
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