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3,5-dimethyl-4-hydroxybenzonitrile
benzonitrile, 3,5-dimethyl-4-hydroxy-

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Name:4-hydroxy-3,5-dimethylbenzonitrile
CAS Number: 4198-90-7Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J87.866I
Beilstein Number:2574734
MDL:MFCD00221716
XlogP3:1.10 (est)
Molecular Weight:147.17693000
Formula:C9 H9 N O
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 310.60 °C. @ 760.00 mm Hg (est)
Flash Point: 287.00 °F. TCC ( 141.70 °C. ) (est)
logP (o/w): 2.520 (est)
Soluble in:
 water, 789.7 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-Dimethyl-4-hydroxybenzonitrile 97.0%
Kingchem Laboratories
4-Hydroxy-3,5-dimethylbenzonitrile
Santa Cruz Biotechnology
For experimental / research use only.
3,5-Dimethyl-4-hydroxybenzonitrile
Sigma-Aldrich: Aldrich
For experimental / research use only.
3,5-Dimethyl-4-hydroxybenzonitrile 97%
TCI AMERICA
For experimental / research use only.
4-Hydroxy-3,5-dimethylbenzonitrile >95.0%(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 650 mg/kg
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for 3,5-dimethyl-4-hydroxybenzonitrile usage levels up to:
 not for fragrance use.
 
Recommendation for 3,5-dimethyl-4-hydroxybenzonitrile flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20176
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-hydroxy-3,5-dimethylbenzonitrile
Chemidplus:0004198907
RTECS:DI4359000 for cas# 4198-90-7
 
References:
 4-hydroxy-3,5-dimethylbenzonitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):20176
Pubchem (sid):134985077
 
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:2926.90.4800
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzonitrile, 3,5-dimethyl-4-hydroxy-
4-hydroxy-3,5-dimethylbenzonitrile
 
 
Notes:
None found
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