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2-benzoxazolinone
2,3-dihydro-2-oxo-1,3-benzoxazole

Supplier Sponsors

Name:3H-1,3-benzoxazol-2-one
CAS Number: 59-49-4Picture of molecule3D/inchi
Other(deleted CASRN):144220-92-8
ECHA EINECS - REACH Pre-Reg:200-430-0
FDA UNII: 3X996Q809V
Nikkaji Web:J36.095C
Beilstein Number:0119481
MDL:MFCD00005716
XlogP3:1.20 (est)
Molecular Weight:135.12225000
Formula:C7 H5 N O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 138.00 °C. @ 760.00 mm Hg
Boiling Point: 335.00 °C. @ 760.00 mm Hg
Boiling Point: 299.00 to 300.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000690 mmHg @ 25.00 °C. (est)
Flash Point: 274.00 °F. TCC ( 134.60 °C. ) (est)
logP (o/w): 1.160
Soluble in:
 water, 8962 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfa Biotechnology
For experimental / research use only.
2-Benzoxazolinone 98%
BOC Sciences
For experimental / research use only.
2-Benzoxazolinone
Carbosynth
For experimental / research use only.
2-Benzoxazolinone
Glentham Life Sciences
2-Benzoxazolinone
Santa Cruz Biotechnology
For experimental / research use only.
2-Benzoxazolinone
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Benzoxazolinone 98%
TCI AMERICA
For experimental / research use only.
2-Benzoxazolinone >98.0%(GC)(T)
 
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:
oral-rat LD50 700 mg/kg
Medicinal Chemistry: A Series of Monographs. Vol. 4(1), Pg. 341, 1964.

oral-mouse LD50 554 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 36, 1987.

intraperitoneal-mouse LD50 400 mg/kg
National Technical Information Service. Vol. AD277-689

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-mammal (species unspecified) LC50 3892 mg/m3
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(8), Pg. 36, 1987.

 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 2-benzoxazolinone usage levels up to:
 not for fragrance use.
 
Recommendation for 2-benzoxazolinone flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):59-49-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6043
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3H-1,3-benzoxazol-2-one
Chemidplus:0000059494
RTECS:DM4905000 for cas# 59-49-4
 
References:
 3H-1,3-benzoxazol-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:59-49-4
Pubchem (cid):6043
Pubchem (sid):134972460
 
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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB32931
FooDB:FDB010916
Export Tariff Code:2934.99.4400
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
 rye seedling
Search Trop Picture
 
Synonyms:
 benzo[d]oxazol-2(3H)-one
3H-benzooxazol-2-one
1,3-benzoxazol-2-ol
3H-1,3-benzoxazol-2-one
1,3-benzoxazol-2(3H)-on
1,3-benzoxazol-2(3H)-one
 benzoxazole, 2-hydroxy-
 benzoxazolin-2-one
 benzoxazolin-2(3H)-one
 benzoxazolone
2(3H)-benzoxazolone
2,3-dihydro-1,3-benzoxazol-2-one
2,3-dihydro-2-oxo-1,3-benzoxazole
3-hydrobenzoxazol-2-one
2-hydroxybenzoxazole
 
 
Notes:
Found in rye seedlings
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