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Propylene glycol diacetate - 97%, high purity , CAS No.623-84-7
Basic Description
Synonyms
PROPYLENE GLYCOL DIACETATE [VANDF] | CHEBI:173692 | MFCD00026201 | PROPYLENE GLYCOL DIACETATE [USP-RS] | 1,2-Propanediol, diacetate | Methylethylene diacetate | F71222 | 1,2-PROPYLENE DIACETATE | FT-0658924 | 1,2-Propyleneglycol diacetate | CAS-623-84-7 |
Specifications & Purity
≥97%
Product Description
Propylene glycol diacetate is a non ionic water soluble surfactant.Propylene glycol diacetate may be used as an emulsifier, solubilizer or solvent in pharmaceuticals.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Dicarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Dicarboxylic acids and derivatives
Alternative Parents
Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504752279
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752279
IUPAC Name
2-acetyloxypropyl acetate
INCHI
InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
InChIKey
MLHOXUWWKVQEJB-UHFFFAOYSA-N
Smiles
CC(COC(=O)C)OC(=O)C
Isomeric SMILES
CC(COC(=O)C)OC(=O)C
RTECS
TY4900000
Molecular Weight
160.17
Beilstein
2(4)220
Reaxy-Rn
1768914
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768914&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.41
Flash Point(°C)
89°C(lit.)
Boil Point(°C)
186 °C
Melt Point(°C)
-31°C(lit.)
Molecular Weight
160.170 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
160.074 Da
Monoisotopic Mass
160.074 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
153.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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C2517516