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1,3-Diacetoxypropane

1,3-Diacetoxypropane structure

CAS No:
628-66-0
Formula:
C7H12O4
Chemical Name:
1,3-Diacetoxypropane
Synonyms:
1,3-Propanediol,1,3-diacetate;1,3-Propanediol,diacetate;1,3-Propylene diacetate;1,3-Propylene glycol diacetate;Trimethylene acetate;1,3-Diacetoxypropane;1,3-Bis(acetyloxy)propane;NSC 227936

Description

ChEBI: An acetate ester obtained by the formal condensation of the two hydroxy groups of propane-1,3-diol with acetic acid.

1,3-diacetoxypropane is an acetate ester obtained by the formal condensation of the two hydroxy groups of propane-1,3-diol with acetic acid. It has a role as a metabolite. It is a diester and an acetate ester. It derives from a propane-1,3-diol.

1,3-Diacetoxypropane Basic Attributes

Molecular Weight：

160.16800

Exact Mass：

160.17

NSC Number：

227936

DSSTox ID：

DTXSID30211889

Characteristics

PSA：

52.60000

XLogP3：

0.50270

Appearance：

UN1993

Density：

1.06g/cm3

Boiling Point：

209.5 °C

Flash Point：

97.5ºC

Refractive Index：

1.417

Water Solubility：

0.62 M

Safety Information

Transport codes：

1993

hazard class code：

R10

safety instructions：

S16

Computed Properties

Molecular Weight:160.17
XLogP3:0.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:160.07355886
Monoisotopic Mass:160.07355886
Topological Polar Surface Area:52.6
Heavy Atom Count:11
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Diacetoxypropane

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

1,3-Diacetoxypropane

SDS

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