2-Methylbenzoxazole
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2-Methylbenzoxazole
structure -
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CAS No:
95-21-6
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Formula:
C8H7NO
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Chemical Name:
2-Methylbenzoxazole
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Synonyms:
Benzoxazole,2-methyl-;2-Methylbenzoxazole;2-Methyl-1,3-benzoxazole;NSC 3824;2-Methylbenzo[d]oxazole
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CAS No:
Description
clear colourless to yellow liquid Yellowish liquid; burnt roast aroma.
Liquid|Yellowish liquid; Roast burnt aroma
2-methylbenzoxazole is a member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole substituted by a methyl group at position 2. It has a role as a fluorochrome and a flavouring agent. It derives from a hydride of a 1,3-benzoxazole.
Characteristics
26
2.2
Liquid
1.1294 g/cm3 @ Temp: 20 °C
9.5 °C
200.5 °C
167 °F
n20/D 1.548(lit.)
Not miscible in water.
Refrigerator
Safety Information
III
8
UN 1760
3
R22;R36/37/38
S26-S36/37/39-S37/39
DM4850000
Xn:Harmful;
Stable under normal temperatures and pressures. Light sensitive.
P261-P280-P305 + P351 + P338
H302-H315-H318-H335
|Danger|H226 (66.92%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 133 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Methylbenzoxazole Use and Manufacturing
Benzoxazole, 2-methyl-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:133.15
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:133.052763847
Monoisotopic Mass:133.052763847
Topological Polar Surface Area:26
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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