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CAS Number: 28418-86-2
1-(4-methylnaphthalen-1-yl)ethanone

Structure

1-(4-methylnaphthalen-1-yl)ethanone
Name: 1-(4-methylnaphthalen-1-yl)ethanone
Synonyms:
General Information
Product Number: 28418862
CAS Registry Number:
28418-86-2
Name:
Ethanone, 1-​(4-​methyl-​1-​naphthalenyl)​-
1'-​Acetonaphthone, 4'-​methyl- (6CI,​8CI); 1-​(4-​Methylnaphthalen-​1-​yl)​ethanone; 1-​Acetyl-​4-​methylnaphthalene; 1-​Methyl-​4-​acetylnaphthalene; 4-​Acetyl-​1-​methylnaphthalene; 4'-​Methyl-​1'-​acetonaphthone; NSC 139880 
 
Chemical Formula: C13H12O
Exact Mass: 184.09
Molecular Weight: 184.23
m/z: 184.09 (100.0%), 185.09 (14.1%)
Elemental Analysis: C, 84.75; H, 6.57; O, 8.68
 
InChI: InChI=1S/C13H12O/c1-9-7-8-12(10(2)14)13-6-4-3-5-11(9)13/h3-8H,1-2H3
InChIKey: BKGIZYOJHJKFJP-UHFFFAOYSA-N
Canonical SMILES : CC1=CC=C(C2=CC=CC=C12)C(=O)C
 
Thermal Properties Value Condition Note
Boiling Point 180 °C Press: 20 Torr (1)IC
Boiling Point 175 °C Press: 15 Torr (2)CAS
Boiling Point 174-175 °C Press: 15 Torr (3)CAS
Boiling Point 120-121 °C Press: 0.7 Torr (4)IC
Fusion Enthalpy See full text   (7)CAS
Melting Point 41 °C Solv: ligroine (8032-32-4) (2)CAS
Melting Point 39 °C   (7)CAS
Thermal Analysis See full text   (7)CAS

Specification

98%

References
  1. (1) Saint-Martino-Descours, Marie Ange; European Journal of Medicinal Chemistry 1979, V14(5), P455-62 CAPLUS
  2. (2) Dziewonski, K.; Bulletin International de l'Academie Polonaise des Sciences et des Lettres, Classe des Sciences Mathematiques et Naturelles, Serie A: Sciences Mathematiques 1938, VA, P316-23 CAPLUS
  3. (3) Haworth, R. D.; Journal of the Chemical Society 1932, P2720-3 CAPLUS
  4. (4) Gore, Peter H.; Bulletin de la Societe Chimique de France 1978, (1-2, Pt. 2), P104-8 CAPLUS
  5. (5) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  7. (7) Hu, Yonghong; Fluid Phase Equilibria 2010, V288(1-2), P83-86 CAPLUS
  8. (8) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
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