Cas no 6969-43-3 (3-hydroxy-4,4,5-trimethyloxolan-2-one)
6969-43-3 structure
Product Name:3-hydroxy-4,4,5-trimethyloxolan-2-one
CAS No:6969-43-3
MF:C7H12O3
MW:144.168382644653
CID:1738722
PubChem ID:249731
Update Time:2025-04-21
3-hydroxy-4,4,5-trimethyloxolan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 3-hydroxy-4,4,5-trimethyloxolan-2-one
- AC1MC9E5
- DL-Pantoinsaeure-amid
- (+-)-2,4-Dihydroxy-3,3-dimethyl-butyramid
- AG-F-55334
- MCULE-2942836455
- (R,S)-2,4-Dihydroxy-3,3-dimethylbutyramide
- 2,4-dihydroxy-3,3-dimethyl-valeric acid-4-lactone
- 2,4-dihydroxy-3,3-dimethyl-butyramide
- dihydroxydimethylbutanamide
- CTK4I8015
- SBB086532
- 2,4-Dihydroxy-3,3-dimethyl-valeriansaeure-4-lacton
- AKOS005070918
- (+-)-2,4-Dihydroxy-3,3-dimethyl-buttersaeure-amid
- AC1MC9E5; DL-Pantoinsaeure-amid; (+-)-2,4-Dihydroxy-3,3-dimethyl-butyramid; AG-F-55334; MCULE-2942836455; (R,S)-2,4-Dihydroxy-3,3-dimethylbutyramide; 2,4-dihydroxy-3,3-dimethyl-valeric acid-4-lactone; 2,4-dihydroxy-3,3-dimethyl-butyramide; dihydroxydimethylbutanamide; CTK4I8015; SBB086532; 2,4-Dihydroxy-3,3-dimethyl-valeriansaeure-4-lacton; AKOS005070918; (+-)-2,4-Dihydroxy-3,3-dimethyl-buttersaeure-amid;
- NSC68358
- 6969-43-3
- NSC-68358
-
- Inchi： 1S/C7H12O3/c1-4-7(2,3)5(8)6(9)10-4/h4-5,8H,1-3H3
- InChI Key： IVMDKUKDYHHIOS-UHFFFAOYSA-N
- SMILES： O1C(C(C(C)(C)C1C)O)=O
Computed Properties
- Exact Mass: 144.07866
- Monoisotopic Mass: 144.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 162
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.095
- Boiling Point: 232.8°C at 760 mmHg
- Flash Point: 97.4°C
- Refractive Index: 1.456
- PSA: 46.53
- LogP: 0.31880
3-hydroxy-4,4,5-trimethyloxolan-2-one Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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