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Merck
CN

W439800

2-Methylbenzoxazole

99%

Synonym(s):

2-Methyl-1,3-benzoxazole, 2-Methyl-4,5-benzoxazole

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About This Item

Empirical Formula (Hill Notation):
C8H7NO
CAS Number:
95-21-6
Molecular Weight:
133.15
Flavis number:
13.154
PubChem Substance ID:
329830711
UNSPSC Code:
12164502
FEMA Number:
4398
EC Number:
202-399-9
MDL number:
MFCD00005771
Beilstein/REAXYS Number:
112297

Key Documents

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InChI

1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

InChI key

DQSHFKPKFISSNM-UHFFFAOYSA-N

SMILES string

Cc1nc2ccccc2o1

biological source

synthetic

assay

99%

refractive index

n20/D 1.550 (lit.)

bp

178 °C (lit.)

mp

5-10 °C (lit.)

density

1.121 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

almond; musty; vanilla

Application

Possible applications: Tobacco, rice vanilla, nut nuances for pecan, almond and pistachio, cherry, coffee.

Biochem/physiol Actions

Odor at 1.0%: Musty, nutty pecan, almond and pistachio-like, tobacco, vanilla-like with brown roasted burnt rubber and cooked rice-like nuances.
Taste at 2.0ppm: Musty, nutty, vanilla and rice-like.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

167.0 °F - closed cup

flash_point_c

75 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBW2102V
MKBV3061V
MKBB5111
MKBG9042V
MKBD2810

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Gerard Mosciano
Perfumer & Flavorist, 34 (1), 58-59 (2009)

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