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Trimethyloxazole

Trimethyloxazole structure

CAS No:
20662-84-4
Formula:
C6H9NO
Chemical Name:
Trimethyloxazole
Synonyms:
Oxazole,2,4,5-trimethyl-;Oxazole,trimethyl-;2,4,5-Trimethyloxazole;Trimethyloxazole;2,4,5-Trimethyl-1,3-oxazole
Categories:
Organic Chemistry > Heterocyclic Ring

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Description

Yellowish liquid; Boiled beef aroma

Trimethyloxazole is an oxazole.

Trimethyloxazole Basic Attributes

Molecular Weight：

111.14200

Exact Mass：

111.14

EC Number：

243-952-4

UNII：

B04PF51WXI

DSSTox ID：

DTXSID0022274

HScode：

2934999090

Characteristics

PSA：

26.03000

XLogP3：

1.59980

Appearance：

Yellowish liquid; Boiled beef aroma

Density：

0.9566 g/cm³ @ Temp: 25 °C

Boiling Point：

134 °C

Flash Point：

33ºC

Refractive Index：

1.442

Water Solubility：

2801 mg/L @ 25 °C (est)|Insoluble in water|Soluble (in ethanol)

Storage Conditions：

Flammables area

Vapor Pressure：

10.4mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993

wgk germany：

hazard class code：

R10

safety instructions：

S16

Marks：

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 161 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Trimethyloxazole Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:111.14
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Exact Mass:111.068413911
Monoisotopic Mass:111.068413911
Topological Polar Surface Area:26
Heavy Atom Count:8
Complexity:84.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 20662-84-4

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