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Triethyl orthobenzoate

Triethyl orthobenzoate structure

CAS No:
1663-61-2
Formula:
C13H20O3
Chemical Name:
Triethyl orthobenzoate
Synonyms:
Benzene,(triethoxymethyl)-;Orthobenzoic acid,triethyl ester;(Triethoxymethyl)benzene;Triethyl orthobenzoate;Ethyl orthobenzoate;Triethoxyphenylmethane
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Triethyl orthobenzoate Basic Attributes

Molecular Weight：

224.3

Exact Mass：

224.30

EC Number：

216-771-3

DSSTox ID：

DTXSID7061859

HScode：

2909309090

Characteristics

PSA：

27.7

XLogP3：

5.30

Appearance：

Clear colorless Liquid

Density：

1.0325 g/cm³ @ Temp: 25 °C

Boiling Point：

240 °C

Flash Point：

206 °F

Refractive Index：

1.479

Water Solubility：

hydrolysis

Vapor Pressure：

0.0602mmHg at 25°C

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

36/37/38-36/37-22

safety instructions：

26-36-37/39

RTECS Number：

AC1225000

Marks：

Xi,Xn

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Triethyl orthobenzoate Use and Manufacturing

Manufacturing Info：

Benzene, (triethoxymethyl)-: INACTIVE

Computed Properties

Molecular Weight:224.30
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:224.14124450
Monoisotopic Mass:224.14124450
Topological Polar Surface Area:27.7
Heavy Atom Count:16
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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