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Structure

Propanoic acid,2-methyl-,3-phenylpropyl ester

CAS
103-58-2
Catalog Number
ACM103582
Category
Other Products
Molecular Weight
206.2808
Molecular Formula
C13H18O2

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Specification

Synonyms
Isobutyric Acid 3-Phenylpropyl Ester; 3-phenylpropyl 2-methylpropanoate; 3-PHENYLPROPYL ISOBUTYRATE;
IUPAC Name
3-phenylpropyl 2-methylpropanoate
Canonical SMILES
CC(C)C(=O)OCCCC1=CC=CC=C1
InChI Key
VBTAKMZSMFMLGT-UHFFFAOYSA-N
Boiling Point
291.6ºC at 760 mmHg
Melting Point
-60ºC
Flash Point
114.5ºC
Density
0.979 g/mL at 25ºC(lit.)
Appearance
Colourless liquid, fruity-balsamic sweet odour
EC Number
203-125-0
Exact Mass
206.13100
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
S24/25
WGK Germany
2
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