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Propylene Glycol Diacetate

IUPAC: 2-acetyloxypropyl acetate

CAS 623-84-7
C7H12O4

Propylene Glycol Diacetate (CAS 623-84-7) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.17 g/mol .

What is Propylene Glycol Diacetate?

Molecular Formula
C7H12O4
Molecular Weight
160.17 g/mol
Melting Point
-31 °C
Boiling Point
190 °C AT 762 MM HG
Density
1.059 AT 20 °C/4 °C
Solubility
VERY SOL IN WATER; SOL IN ETHYL ALCOHOL, ETHYL ETHER

Description

Propyleneglycol diacetate is a dicarboxylic acid.

Structure Identifiers

SMILES
CC(COC(=O)C)OC(=O)C
InChI
InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
InChIKey
MLHOXUWWKVQEJB-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
160.0736 Da
XLogP
0.70
TPSA
52.6 Ų
H-Bond Donors
0
H-Bond Acceptors
4
Complexity
153
Formal Charge
0

Experimental

Measured physical and chemical properties from experimental literature.

Vapor Pressure
0.57 [mmHg]
LogP
0.8
Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes.

Safety information

No safety data available for this chemical.

Synonyms (81)

  • PgdA
  • P0902
  • D05635
  • F71222
  • F342106
  • FP39647
  • 623-84-7
  • AS-59980
  • NSC75843
  • 210-817-6
  • AI3-14910
  • HSDB 5507
  • NSC 75843
  • NSC-75843
  • Q27263082
  • SBB008331
  • 5Z492UNF9O
  • CS-0188388
  • NS00004888
  • ST50824776
  • 134236-23-0
  • BRN 1768914
  • CAS-623-84-7
  • CHEBI:173692
  • EC 210-817-6
  • MFCD00026201
  • SCHEMBL49091
  • Tox21_301689
  • AKOS015915268
  • CHEMBL2105367
  • DTXCID7024827
  • DTXSID9044827
  • FEMA NO. 4464
  • RefChem:176536
  • SCHEMBL3218918
  • SCHEMBL6132754
  • WLN: 1OY1&1OV1
  • NCGC00256009-01
  • SCHEMBL28114339
  • UNII-5Z492UNF9O
  • EINECS 210-817-6
  • Propylene acetate
  • 1,2Diacetoxypropane
  • Propylene diacetate
  • 1,2-Diacetoxypropane
  • Methylethylene acetate
  • 1,2-PROPYLENE DIACETATE
  • 2-acetoxypropyl acetate
  • Methylethylene diacetate
  • (+-)-1,2-DIACETOXYPROPANE
Show 31 more names
  • 1,2-Propanediol diacetate
  • 1,2Propanediol, diacetate
  • 2-acetyloxypropyl acetate
  • Propyleneglycol diacetate
  • (+/-)-1,2-DIACETOXYPROPANE
  • 1,2-Propanediol, diacetate
  • Propane-1,2-diol diacetate
  • Propane-1,2-diyl diacetate
  • Propylene glycol diacetate
  • MLHOXUWWKVQEJB-UHFFFAOYSA-N
  • 1,2-Propyleneglycol diacetate
  • 1,2Propylene glycol diacetate
  • 2-acetyloxy-isopropyl acetate
  • 1,2-Propanediol, 1,2-diacetate
  • 1,2-PROPYLENE DIACETATE [HSDB]
  • 1,2-Propylene glycol diacetate
  • PROPYLENE GLYCOL DIACETATE (II)
  • PROPYLENE GLYCOL DIACETATE [II]
  • Propylene glycol diacetate [NF]
  • 1-(acetyloxy)propan-2-yl acetate
  • alpha Propylene glycol diacetate
  • .alpha.-Propylene glycol diacetate
  • PROPYLENE GLYCOL DIACETATE (MART.)
  • PROPYLENE GLYCOL DIACETATE [MART.]
  • PROPYLENE GLYCOL DIACETATE [VANDF]
  • PROPYLENE GLYCOL DIACETATE (USP-RS)
  • PROPYLENE GLYCOL DIACETATE [USP-RS]
  • PROPYLENE GLYCOL DIACETATE [WHO-DD]
  • Propylene glycol diacetate, >=99.7%
  • 2-(Acetyloxy)-1-methylethyl acetate #
  • 4-02-00-00220 (Beilstein Handbook Reference)

Frequently asked questions

What is the CAS number of Propylene Glycol Diacetate?

The CAS Registry Number for Propylene Glycol Diacetate is 623-84-7.

What is the IUPAC name of Propylene Glycol Diacetate?

The IUPAC name of Propylene Glycol Diacetate is 2-acetyloxypropyl acetate.

What is the molecular formula of Propylene Glycol Diacetate?

Propylene Glycol Diacetate has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol.

What is the SMILES notation for Propylene Glycol Diacetate?

The SMILES notation for Propylene Glycol Diacetate is CC(COC(=O)C)OC(=O)C.

What is the melting point of Propylene Glycol Diacetate?

The melting point of Propylene Glycol Diacetate is -31 °C.

What is the boiling point of Propylene Glycol Diacetate?

The boiling point of Propylene Glycol Diacetate is 190 °C AT 762 MM HG.

What is the density of Propylene Glycol Diacetate?

The density of Propylene Glycol Diacetate is 1.059 AT 20 °C/4 °C.

How soluble is Propylene Glycol Diacetate?

Solubility of Propylene Glycol Diacetate: VERY SOL IN WATER; SOL IN ETHYL ALCOHOL, ETHYL ETHER.

What are other names for Propylene Glycol Diacetate?

Propylene Glycol Diacetate is also known as .alpha.-Propylene glycol diacetate, (+-)-1,2-DIACETOXYPROPANE, (+/-)-1,2-DIACETOXYPROPANE, 1-(acetyloxy)propan-2-yl acetate, 1,2-Diacetoxypropane.

Data sourced from PubChem CID 12198. Last updated .

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