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CAS Number: 35028-15-0
3-methyl-1-phenylpentan-1-one

Structure

 3-methyl-1-phenylpentan-1-one
Name: 3-methyl-1-phenylpentan-1-one
Synonyms:
General Information
Product Number: 35028150

CAS Registry Number 35028-15-0
Name:
1-?Butanone, 1-?(3,?4-?dimethylphenyl)?-
3,4-Dimethylbutyrophenone
3',4'-Dimethylbutyrophenone

 

Chemical Formula: C12H16O
Exact Mass: 176.12
Molecular Weight: 176.25
m/z: 176.12 (100.0%), 177.12 (13.0%)

 

InChI:InChI=1S/C12H16O/c1-4-5-12(13)11-7-6-9(2)10(3)8-11/h6-8H,4-5H2,1-3H3

InChI Key:IZIFAKHVXFCHDW-UHFFFAOYSA-N

Canonical SMILES:CCCC(=O)C1=CC(=C(C=C1)C)C

 

Thermal Properties Value Condition Note
Boiling Point 170-185 °C Press: 3 Torr (1)CAS
Boiling Point 157-160 °C Press: 8 Torr (2)CAS
Melting Point 61.0 °C   (1)CAS
Melting Point See full text   (3)IC

Specification

98%
References
  1. (1) Hartung, Walter H.; Journal of the American Chemical Society 1929, V51, P2570-4 CAPLUS
  2. (2) Kunckell, Franz; Berichte der Deutschen Pharmazeutischen Gesellschaft 1912, V22, P180-99,242-51 CAPLUS
  3. (3) Yuldashev, Kh. Yu.; Zhurnal Organicheskoi Khimii 1978, V14(1), P113-16 CAPLUS
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