Cas no 5860-35-5 (2-Butene-1,1-diol,1,1-diacetate)
5860-35-5 structure
Product Name:2-Butene-1,1-diol,1,1-diacetate
CAS No:5860-35-5
MF:C8H12O4
MW:172.178483009338
CID:374536
PubChem ID:5355874
Update Time:2025-04-19
2-Butene-1,1-diol,1,1-diacetate Chemical and Physical Properties
Names and Identifiers
-
- 2-Butene-1,1-diol,1,1-diacetate
- 1-acetyloxybut-2-enyl acetate
- 2-butene-1,1-diyl diacetate
- 1,1-diacetoxy-1-propenyl methane
- 1,1-Diacetoxy-2-butene
- 1,1-Diacetoxy-but-2-en
- 1,1-diacetoxy-but-2-ene
- 2-Butenal diacetyl acetal
- 2-butene-1,1-diacetate
- 2-Butene-1,1-diol diacetate
- 2-butenylidene diacetate
- Ai3-16641
- Bisacetic acid 2-butenylidene ester
- Diacetic acid 2-butenylidene ester
- Einecs 227-505-0
- 5860-35-5
- SCHEMBL2778945
- NSC 46578
- trans-1,1-Diacetoxy-2-butene
- SCHEMBL1326711
- AKOS024342555
- NSC46578
- 2-Butene-1,1-diol, diacetate
- [(E)-1-acetyloxybut-2-enyl] acetate
- NSC-46578
-
- Inchi： 1S/C8H12O4/c1-4-5-8(11-6(2)9)12-7(3)10/h4-5,8H,1-3H3/b5-4+
- InChI Key： YSKRCULMSHXOLA-SNAWJCMRSA-N
- SMILES： O(C(C)=O)C(/C=C/C)OC(C)=O
Computed Properties
- Exact Mass: 172.07356
- Monoisotopic Mass: 172.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
2-Butene-1,1-diol,1,1-diacetate Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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