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ChemicalBook--->CAS DataBase List--->95-21-6

95-21-6

95-21-6 Structure

95-21-6 Structure
IdentificationMore
[Name]

2-Methylbenzoxazole
[CAS]

95-21-6
[Synonyms]

1-ACETYLIDENE-O-AMINOPHENOL
2-METHYLBENZODOXAZOLE
2-Methylbenzoxazol
2-METHYLBENZOXAZOLE
METHYLBENZOXAZOLE
TABAXOL
2-Methyl-1,3-benzoxazole
2-Methyl-benzooxazole
USAF ek-982
usafek-982
TABAXOL (2-METHYL-BENZOXAZOLE)
2-Methylbenzoxazole,99%
Benzoxazole, 2-methyl-
2-METHYL-4,5-BENZO-OXAZOLE
3-(2-Bromophenyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
3-(2-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
3-(2-Bromophenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole
3-(3-Bromophenyl)-1,2,4-oxadiazole
3-(4-Bromophenyl)-5-propyl-1,2,4-oxadiazole
3-(4-Nitrophenyl)-5-propyl-1,2,4-oxadiazole
[EINECS(EC#)]

202-399-9
[Molecular Formula]

C8H7NO
[MDL Number]

MFCD00005771
[Molecular Weight]

133.15
[MOL File]

95-21-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to yellow liquid
[Melting point ]

5-10 °C(lit.)
[Boiling point ]

178 °C(lit.)
[density ]

1.121 g/mL at 25 °C(lit.)
[FEMA ]

4398
[refractive index ]

n20/D 1.548(lit.)
[Fp ]

167 °F
[storage temp. ]

Refrigerator
[form ]

clear liquid
[pka]

1.58±0.10(Predicted)
[color ]

Colorless to Light yellow to Light orange
[Specific Gravity]

1.121
[Odor]

at 0.10 % in dipropylene glycol. tobacco burnt phenolic meaty powdery capers
[Odor Type]

tobacco
[Water Solubility ]

Not miscible in water.
[JECFA Number]

1557
[BRN ]

112297
[InChIKey]

BJEBCCKIVRWKGV-UHFFFAOYSA-N
[LogP]

1.82
[CAS DataBase Reference]

95-21-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoxazole, 2-methyl-(95-21-6)
[Storage Precautions]

Store under nitrogen
[EPA Substance Registry System]

95-21-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi,C
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
R34:Causes burns.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S37/39:Wear suitable gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 1760
[WGK Germany ]

3
[RTECS ]

DM4850000
[F ]

8
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29349990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methylbenzoxazole(95-21-6).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colourless to yellow liquid
[Chemical Properties]

Yellowish liquid; burnt roast aroma.
[Uses]

2-Methylbenzoxazole has been used in synthesis of bis-styryl dyes. It is also used in medicine and for the synthesis of other organic compounds.
[Definition]

ChEBI: A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole substituted by a methyl group at position 2.
[Aroma threshold values]

High strength odor, tobacco type; recommend smelling in a 0.10% solution or less.
[Synthesis Reference(s)]

Tetrahedron Letters, 37, p. 675, 1996 DOI: 10.1016/0040-4039(95)02240-6
[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.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylbenzoxazole(95-21-6)MS
2-Methylbenzoxazole(95-21-6)1HNMR
2-Methylbenzoxazole(95-21-6)13CNMR
2-Methylbenzoxazole(95-21-6)IR1
2-Methylbenzoxazole(95-21-6)IR2
2-Methylbenzoxazole(95-21-6)IR3
2-Methylbenzoxazole(95-21-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methylbenzoxazole, 99%(95-21-6)
[Alfa Aesar]

2-Methylbenzoxazole, 99%(95-21-6)
[Sigma Aldrich]

95-21-6(sigmaaldrich)
[TCI AMERICA]

2-Methylbenzoxazole,>99.0%(GC)(95-21-6)
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