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3,5-dimethyl isoxazole
isoxazole, 3,5-dimethyl-

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Name:3,5-dimethyl-1,2-oxazole
CAS Number: 300-87-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:206-100-2
FDA UNII: JS7C0HP303
Nikkaji Web:J47.753B
Beilstein Number:0106324
XlogP3-AA:1.20 (est)
Molecular Weight:97.11699000
Formula:C5 H7 N O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.98400 to 0.98700 @ 20.00 °C.
Pounds per Gallon - (est).: 8.197 to 8.222
Refractive Index:1.44000 to 1.44300 @ 20.00 °C.
Melting Point: -14.00 °C. @ 760.00 mm Hg
Boiling Point: 143.00 °C. @ 760.00 mm Hg
Vapor Pressure:6.505000 mmHg @ 25.00 °C. (est)
Flash Point: 88.00 °F. TCC ( 31.11 °C. )
logP (o/w): 1.431 (est)
Soluble in:
 water, 9083 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3,5-Dimethylisoxazole 95%
EMD Millipore
For experimental / research use only.
3,5-Dimethylisoxazole
Matrix Scientific
For experimental / research use only.
3,5-Dimethylisoxazole, 95+%
Santa Cruz Biotechnology
For experimental / research use only.
3,5-Dimethylisoxazole
Sigma-Aldrich: Aldrich
For experimental / research use only.
3,5-Dimethylisoxazole 98%
TCI AMERICA
For experimental / research use only.
3,5-Dimethylisoxazole >99.0%(GC)
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 880 mg/kg
BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 18, Pg. 19, 1966.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 3,5-dimethyl isoxazole usage levels up to:
 not for fragrance use.
 
Recommendation for 3,5-dimethyl isoxazole flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):300-87-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :9312
National Institute of Allergy and Infectious Diseases:Data
3,5-dimethyl-1,2-oxazole
Chemidplus:0000300878
RTECS:NY2774200 for cas# 300-87-8
 
References:
 3,5-dimethyl-1,2-oxazole
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:300-87-8
Pubchem (cid):9312
Pubchem (sid):134975449
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2934.99.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 
Synonyms:
3,5-dimethyl-1,2-oxazole
3,5-dimethylisoxazole
 dimexazol
isoxazole, 3,5-dimethyl-
 
 
Notes:
None found
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