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CAS Number: 13100-05-5
1-(2-hydroxyphenyl)propan-2-one

Structure

1-(2-hydroxyphenyl)propan-2-one
Name: 1-(2-hydroxyphenyl)propan-2-one
Synonyms:
General Information
Product Number: 13100055
CAS Registry Number:
13100-05-5
Name:
2-​Propanone, 1-​(2-​hydroxyphenyl)​-
2-​Propanone, (o-​hydroxyphenyl)​- (6CI,​7CI); 2-​Propanone, 1-​(o-​hydroxyphenyl)​- (8CI); 1-​(2-​Hydroxyphenyl)​propan-​2-​one; 2-​Hydroxyphenylacetone 
 
Chemical Formula: C9H10O2
Exact Mass: 150.07
Molecular Weight: 150.17
m/z: 150.07 (100.0%), 151.07 (9.9%)
Elemental Analysis: C, 71.98; H, 6.71; O, 21.31
 
InChI: InChI=1S/C9H10O2/c1-7(10)6-8-4-2-3-5-9(8)11/h2-5,11H,6H2,1H3
InChIKey: OCKHLUBUCIHKRG-UHFFFAOYSA-N
Canonical SMILES : CC(=O)CC1=CC=CC=C1O
 
Thermal Properties Value Condition Note
Boiling Point 145-147 °C Press: 11 Torr (1)IC
Boiling Point 110 °C Press: 1.0 Torr (2)CAS
Melting Point 63.5-64.5 °C   (5)CAS
Melting Point 63.5-64.5 °C Solv: cyclohexane (110-82-7) (1)IC
Melting Point 63-64 °C Solv: benzene (71-43-2); hexane (110-54-3) (2)CAS
Melting Point 62.5-64 °C   (3)IC

Specification

98%

References
  1. (1) Dzvinchuk, I. B.; Ukrainskii Khimicheskii Zhurnal (Russian Edition) 1983, V49(2), P194-8 CAPLUS
  2. (2) Tinsley, S. W.; Journal of Organic Chemistry 1959, V24, P1197-9 CAPLUS
  3. (3) Ledoussal, B.; Tetrahedron 1987, V43(24), P5841-52 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Kaneko, Chikara; Tetrahedron Letters 1966, (39), P4701-5 CAPLUS
  6. (6) Schmidlin, Julius; Berichte der Deutschen Chemischen Gesellschaft 1911, V43, P2806-20 CAPLUS
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