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CAS Number: 4430-31-3
octahydro-2H-chromen-2-one

Structure

octahydro-2H-chromen-2-one
Name: octahydro-2H-chromen-2-one
Synonyms:
General Information
Product Number: 4430313

CAS Registry Number: 4430-31-3

Name:

2H-​1-​Benzopyran-​2-​one, octahydro-
Coumarin, octahydro- (6CI,​8CI); Cyclohexanepropionic acid, 2-​hydroxy-​, δ-​lactone (4CI); 2-​Oxabicyclo[4.4.0]​decan-​3-​one; Cyclohexanepropanoic acid, 2-​hydroxy-​, δ-​lactone; Octahydrocoumarin 

 

Chemical Formula: C9H14O2
Exact Mass: 154.10
Molecular Weight: 154.21
m/z: 154.10 (100.0%), 155.10 (9.8%)
Elemental Analysis: C, 70.10; H, 9.15; O, 20.75

 

InChI: InChI=1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2
InChIKey: MSFLYJIWLHSQLG-UHFFFAOYSA-N
Canonical SMILES : C1CCC2C(C1)CCC(=O)O2

 

Thermal Properties Value Condition Note
Boiling Point 244-247 °C   (1)CAS
Boiling Point 144-146 °C   (2)CAS
Boiling Point 110-112 °C Press: 1.5 Torr (3)CAS
Boiling Point 110 °C Press: 1 Torr (4)CAS
Boiling Point 96-101 °C Press: 2 Torr (5)IC

Specification

98%

References
  1. (1) Nakabayashi, Toshihira; Yakugaku Zasshi 1954, V74, P895-8 CAPLUS
  2. (2) De Benneville, Peter L.; Journal of the American Chemical Society 1940, V62, P283-7 CAPLUS
  3. (3) Dev, Sukh; Journal of the Indian Chemical Society 1957, V34, P266-74 CAPLUS
  4. (4) Frank, Robert L.; Journal of the American Chemical Society 1951, V73, P724-30 CAPLUS
  5. (5) Aredova, E. N.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1978, (4), P926-8 CAPLUS
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