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Diethyl terephthalate

Diethyl terephthalate structure

CAS No:
636-09-9
Formula:
C12H14O4
Chemical Name:
Diethyl terephthalate
Synonyms:
1,4-Benzenedicarboxylic acid,1,4-diethyl ester;Terephthalic acid,diethyl ester;1,4-Benzenedicarboxylic acid,diethyl ester;Diethyl terephthalate;p-Benzenedicarboxylic acid diethyl ester;p-Diethyl phthalate;NSC 68816;1,4-Diethyl benzene-1,4-dicarboxylate
Categories:
Organic Chemistry > Coordination Complexes

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Description

white crystalline low melting solid

Diethyl terephthalate Basic Attributes

Molecular Weight：

222.23700

Exact Mass：

222.24

EC Number：

211-249-1

UNII：

N97X85L3CD

NSC Number：

68816

DSSTox ID：

DTXSID8060909

HScode：

2917399090

Characteristics

PSA：

52.60000

XLogP3：

2.04000

Appearance：

white crystalline low melting solid

Density：

1.0913 g/cm³ @ Temp: 25 °C

Melting Point：

44 °C

Boiling Point：

302 °C

Flash Point：

117 °C

Refractive Index：

1.507

Safety Information

hazard class code：

36/37/38

safety instructions：

S24/25

RTECS Number：

WZ1223400

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 10 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

diethyl terephthalate

Diethyl terephthalate Use and Manufacturing

Uses

Diethyl Terephthalate is a diester compound formed from terephthalic acid (T112500). Diethyl Terephthalate is used in the production of polyesters.

Manufacturing Info：

1,4-Benzenedicarboxylic acid, 1,4-diethyl ester: INACTIVE

Computed Properties

Molecular Weight:222.24
XLogP3:3.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:222.08920892
Monoisotopic Mass:222.08920892
Topological Polar Surface Area:52.6
Heavy Atom Count:16
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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