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CAS Number: 38861-78-8
1-(4-isobutylphenyl)ethanone

Structure

1-(4-isobutylphenyl)ethanone
Name: 1-(4-isobutylphenyl)ethanone
Synonyms:
General Information
Product Number: 38861788

CAS Registry Number 38861-78-8
Name:
Ethanone, 1-​[4-​(2-​methylpropyl)​phenyl]​-
Acetophenone, 4'-isobutyl- (6CI)
1-Acetyl-4-isobutylbenzene
1-[4-(2-Methylpropyl)phenyl]-1-ethanone
1-[4-(2-Methylpropyl)phenyl]ethanone
4-(2-Methylpropyl)acetophenone

 

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/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3

InChI Key:KEAGRYYGYWZVPC-UHFFFAOYSA-N

Canonical SMILES:CC(C)CC1=CC=C(C=C1)C(=O)C

 

Thermal Properties Value Condition Note
Boiling Point 135 °C   (1)CAS
Boiling Point 129-130 °C Press: 6 Torr (2)IC
Boiling Point 97 °C Press: 4 Torr (3)CAS
Boiling Point 94-100 °C   (4)CAS
Boiling Point 86-90 °C Press: 0.5 Torr (5)CAS
Boiling Point 85-92 °C Press: 1 Torr (6)IC

Specification

98%

References
  1. (1) Weygand, C.; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1935, V68B, P1825-38 CAPLUS
  2. (2) Hosotani, Takeo; Applied Radiation and Isotopes 1986, V37(6), P505-11 CAPLUS
  3. (3) Kusuyama, Yoshiaki; Wakayama Daigaku Kyoikugakubu Kiyo, Shizen Kagaku 2004, V54, P17-22 CAPLUS
  4. (4) Bellale, Eknath V.; Journal of Organic Chemistry 2008, V73(23), P9473-9475 CAPLUS
  5. (5) Baddeley, G.; Journal of the Chemical Society 1956, P4943-5 CAPLUS
  6. (6) Zawada, Tadeusz; PL 145732 B1 1988 CAPLUS
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