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2,4,5-Trimethyl-3-oxazoline

2,4,5-Trimethyl-3-oxazoline structure

CAS No:
22694-96-8
Formula:
C6H11NO
Chemical Name:
2,4,5-Trimethyl-3-oxazoline
Synonyms:
Oxazole,2,5-dihydro-2,4,5-trimethyl-;3-Oxazoline,2,4,5-trimethyl-;2,5-Dihydro-2,4,5-trimethyloxazole;2,4,5-Trimethyl-3-oxazoline;2,4,5-Trimethyl-Δ3-oxazoline;2,4,5-Trimethyl-2,5-dihydro-1,3-oxazole
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Yellow-orange liquid; powerful, musty, nut-like odor. Soluble in alc, propylene glycol,water; insoluble in fixed oils. 2,4,5-Trimethyl-δ-3-oxazoline has a powerful, musty, slight green, wood, nut-like odor.

Yellow orange liquid; Powerful, musty, slight green, wood, nut aroma

2,5-Dihydro-2,4,5-trimethyloxazole is an oxazole.

2,4,5-Trimethyl-3-oxazoline Basic Attributes

Molecular Weight：

113.16

Exact Mass：

113.16

EC Number：

928-459-0

UNII：

KHQ1Z14L8P

DSSTox ID：

DTXSID8047133

HScode：

2934999090

Characteristics

PSA：

21.6

XLogP3：

1.72

Appearance：

Pale yellow liquid

Density：

1.0±0.1 g/cm3

Boiling Point：

45-47°C12mm

Flash Point：

45-47°C/12mm

Refractive Index：

1.491

Water Solubility：

soluble in alcohol, fixed oils. Insoluble in water.

Vapor Pressure：

8.1mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

1993

hazard class code：

11-36/37/38-10

safety instructions：

3/7-9-16-29-33-37/60-26

RTECS Number：

RQ5665000

Marks：

Precautionary statement(s)：

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, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H315 (97.37%): 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 1443 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2,4,5-Trimethyl-3-oxazoline Use and Manufacturing

Methods of Manufacturing

It is obtained by the reaction of vinegar anchor and acetaldehyde in the presence of ammonium hydroxide.

Uses

GB 2760-1996 stipulates that it can be used for food spices. Mainly used to prepare nuts, cocoa, coffee, meat, bread, caramel and berry flavors.

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:113.16
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Exact Mass:113.084063974
Monoisotopic Mass:113.084063974
Topological Polar Surface Area:21.6
Heavy Atom Count:8
Complexity:120
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ammonium hydroxide

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Guide of 2,4,5-Trimethyl-3-oxazoline

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Learn More Other Chemicals

2,4,5-Trimethyl-3-oxazoline

SDS

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