Cas no 13814-27-2 (1,2-Butanediol,1,2-diacetate)
1,2-Butanediol,1,2-diacetate structure
Product Name:1,2-Butanediol,1,2-diacetate
CAS No:13814-27-2
MF:C8H14O4
MW:174.194363117218
CID:119957
PubChem ID:9920499
Update Time:2025-04-18
1,2-Butanediol,1,2-diacetate Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Butanediol,1,2-diacetate
- acetic acid,butane-1,2-diol
- 1,2-Butanediol,diacetate (7CI,8CI,9CI)
- 1,2-Butanediyl diacetate
- 1,2-Butylene diacetate
- 1,2-Butylene glycol diacetate
- 1,2-Diacetoxybutane
- 2-acetyloxybutyl Acetate
- 13814-27-2
- 1,2-Butanediol, 1,2-diacetate
- SCHEMBL425452
- 1,2-butanediol diacetate
- KPTMSNPLDZKSST-UHFFFAOYSA-N
-
- Inchi： 1S/C8H14O4/c1-4-8(12-7(3)10)5-11-6(2)9/h8H,4-5H2,1-3H3
- InChI Key： KPTMSNPLDZKSST-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(COC(C)=O)CC
Computed Properties
- Exact Mass: 174.08920892g/mol
- Monoisotopic Mass: 174.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 59.7
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 52.6?2
1,2-Butanediol,1,2-diacetate Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
13814-27-2 (1,2-Butanediol,1,2-diacetate) Related Products
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