Cas no 162376-82-1 (1,4-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl- (9CI))
162376-82-1 structure
Product Name:1,4-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl- (9CI)
CAS No:162376-82-1
MF:C10H14O
MW:150.217563152313
CID:109968
PubChem ID:11819211
Update Time:2025-04-18
1,4-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl- (9CI)
- 1,4-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-
- 2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde
- 2,6,6-trimethylcyclohexa-1,4-diene-1-carbaldehyde
- 2,6,6-Trimethylcyclohexa-1,4-diene-1-carboxaldehyde
- L6U DUTJ A1 BVH C1 C1
- 162376-82-1
- SCHEMBL9065605
- DTXSID501222872
- 1,4-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-
- 2,6,6-Trimethylcyclohexa-1,4-dienecarbaldehyde
- CHEBI:195899
-
- Inchi： 1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4,6-7H,5H2,1-3H3
- InChI Key： AXVHXJQWKAFHQW-UHFFFAOYSA-N
- SMILES： O=CC1=C(C)CC=CC1(C)C
Computed Properties
- Exact Mass: 150.10452
- Monoisotopic Mass: 150.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.975
- Boiling Point: 215.2°Cat760mmHg
- Flash Point: 79.2°C
- Refractive Index: 1.529
- PSA: 17.07
1,4-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl- (9CI) Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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