Cas no 5332-77-4 (1,2-Cyclohexanedimethanol,3-methyl-, 1,2-diacetate)
5332-77-4 structure
Product Name:1,2-Cyclohexanedimethanol,3-methyl-, 1,2-diacetate
CAS No:5332-77-4
MF:C13H22O4
MW:242.311384677887
CID:383565
PubChem ID:219354
Update Time:2025-04-19
1,2-Cyclohexanedimethanol,3-methyl-, 1,2-diacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedimethanol,3-methyl-, 1,2-diacetate
- [2-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
- (+-)-1r2c-bis-acetoxymethyl-3c-methyl-cyclohexane
- (3-methylcyclohexane-1,2-diyl)dimethanediyl diacetate
- 3-METHYL-1, DIACETATE
- AC1L56LI
- AC1Q65ZE
- AG-J-43642
- CTK4J7604
- KST-1A6212
- NSC557
- 5332-77-4
- NSC-557
- DTXSID30277046
-
- Inchi： 1S/C13H22O4/c1-9-5-4-6-12(7-16-10(2)14)13(9)8-17-11(3)15/h9,12-13H,4-8H2,1-3H3
- InChI Key： NZYGHSMLNBLDBT-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC1C(C)CCCC1COC(C)=O
Computed Properties
- Exact Mass: 242.15186
- Monoisotopic Mass: 242.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 275
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.003
- Boiling Point: 295.2°Cat760mmHg
- Flash Point: 135.8°C
- Refractive Index: 1.441
- PSA: 52.6
- LogP: 2.16500
1,2-Cyclohexanedimethanol,3-methyl-, 1,2-diacetate Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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