Cas no 30915-82-3 (Butanediol, diacetate)
Butanediol, diacetate structure
Product Name:Butanediol, diacetate
CAS No:30915-82-3
MF:C8H14O4
MW:174.194363117218
CID:317778
PubChem ID:182019
Update Time:2025-04-19
Butanediol, diacetate Chemical and Physical Properties
Names and Identifiers
-
- Butanediol, diacetate
- 1-acetyloxybutyl acetate
- KYCXTUXIIANKNP-UHFFFAOYSA-N
- Butane-1,1-diyl diacetate
- 30915-82-3
- SCHEMBL190306
- butanediol diacetate
- DTXSID40953081
-
- Inchi： 1S/C8H14O4/c1-4-5-8(11-6(2)9)12-7(3)10/h8H,4-5H2,1-3H3
- InChI Key： KYCXTUXIIANKNP-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(CCC)OC(C)=O
Computed Properties
- Exact Mass: 174.08922
- Monoisotopic Mass: 174.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 148
- 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: 1.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.037
- Boiling Point: 216.1°Cat760mmHg
- Flash Point: 98.1°C
- Refractive Index: 1.421
- PSA: 52.6
Butanediol, diacetate Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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