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CAS Number: 40546-94-9
6-methyl-4-phenylchroman-2-one

Structure

6-methyl-4-phenylchroman-2-one
Name: 6-methyl-4-phenylchroman-2-one
Synonyms:
General Information
Product Number: 40546949

CAS Registry Number 40546-94-9
Name:
2H-?1-?Benzopyran-?2-?one, 3,?4-?dihydro-?6-?methyl-?4-?phenyl-
Hydrocoumarin, 6-methyl-4-phenyl- (6CI,7CI)
3,4-Dihydro-6-methyl-4-phenyl-2H-benzopyran-2-one
6-Methyl-4-phenyl-3,4-dihydro-1-benzopyran-2-one
6-Methyl-4-phenyl-3,4-dihydrocoumarin
6-Methyl-4-phenylchroman-2-one

 

Chemical Formula: C16H14O2
Exact Mass: 238.10
Molecular Weight: 238.28
m/z: 238.10 (100.0%), 239.10 (17.4%), 240.11 (1.4%)

 

InChI:InChI=1S/C16H14O2/c1-11-7-8-15-14(9-11)13(10-16(17)18-15)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3

InChI Key:SUHIZPDCJOQZLN-UHFFFAOYSA-N

Canonical SMILES:CC1=CC2=C(C=C1)OC(=O)CC2C3=CC=CC=C3

 

Thermal Properties Value Condition Note
Boiling Point 166-170 °C Press: 2.5 Torr (1)CAS
Melting Point 81-83 °C   (6)CAS
Melting Point 80-82 °C Solv: methanol (67-56-1) (4)IC
Melting Point 80-81 °C   (7)CAS
Melting Point 80-81 °C Solv: ethanol (64-17-5) (8)CAS
Melting Point 80 °C   (9)IC

Specification

98%

References
  1. (1) Colonge, Jean; Compt. rend. 1951, V233, P1464-6 CAPLUS
  2. (3) Jeon, Jae-Ho; Bulletin of the Korean Chemical Society 2011, V32(1), P65-70 CAPLUS
  3. (4) Balayan, R. S.; Armyanskii Khimicheskii Zhurnal 1983, V36(7), P451-6 CAPLUS
  4. (5) Starkov, S. P.; Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya 1979, V22(11), P1327-32 CAPLUS
  5. (6) Zhou, Xinbo; Zhongguo Yaowu Huaxue Zazhi 2002, V12(3), P138-140 CAPLUS
  6. (7) Hasebe, Noboru; Nippon Kagaku Zasshi 1962, V83, P96-8 CAPLUS
  7. (8) Simpson, J. D. M.; Journal of the South African Chemical Institute 1949, V2, P165-71 CAPLUS
  8. (9) Manimaran, T.; Synthesis 1975, (11), P739-41 CAPLUS
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