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CAS Number: 40614-27-5
4,4-dimethylchroman

Structure

4,4-dimethylchroman
Name: 4,4-dimethylchroman
Synonyms:
General Information
Product Number: 40614275

CAS Registry Number 40614-27-5
Name:
2H-​1-​Benzopyran, 3,​4-​dihydro-​4,​4-​dimethyl-
Chroman, 4,4-dimethyl- (6CI)
3,4-Dihydro-4,4-dimethyl-2H-1-benzopyran
4,4-Dimethylchroman
NSC 245127

 

Chemical Formula: C11H14O
Exact Mass: 162.10
Molecular Weight: 162.23
m/z: 162.10 (100.0%), 163.11 (12.1%)

 

InChI:InChI=1S/C11H14O/c1-11(2)7-8-12-10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3

InChI Key:IZOJLZIGCQKKKH-UHFFFAOYSA-N

Canonical SMILES:CC1(CCOC2=CC=CC=C21)C

 

Thermal Properties Value Condition Note
Boiling Point 74-80 °C Press: 0.7 Torr (1)IC
Boiling Point 57-59 °C Press: 3 Torr (2)IC
Boiling Point 43-44 °C Press: 0.2 Torr (3)IC
Boiling Point 43-44 °C Press: 0.2 Torr (4)IC

Specification

98%

References
  1. (1) Berlin, Kenneth D.; US 4826984 A 1989 CAPLUS
  2. (2) Butsugan, Yasuo; Chemistry Letters 1976, (5), P523-4 CAPLUS
  3. (3) Berlin, Kenneth D.; US 4833254 A 1989 CAPLUS
  4. (4) Berlin, Kenneth D.; US 4977276 A 1990 CAPLUS
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