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4,4'-diisocyanato-3,3'-dimethyl-1,1'-biphenyl
3,3'-dimethyl-4,4'-diisocyanatobiphenyl

Supplier Sponsors

CAS Number: 91-97-4Picture of molecule3D/inchi
Other(deleted CASRN):119684-28-5
ECHA EINECS - REACH Pre-Reg:202-112-7
FDA UNII: 9L950NB0HN
Nikkaji Web:J41.830G
Beilstein Number:2743710
MDL:MFCD00019908
XlogP3-AA:5.90 (est)
Molecular Weight:264.28404000
Formula:C16 H12 N2 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:indirect food additives: adhesives and components of coatings
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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NCBI:Search
DG SANTE Food Contact Materials:3,3'-dimethyl-4,4'-diisocyanatobiphenyl
FDA Mainterm (IAUFC):91-97-4 ; BITOLYLENE DIISOCYANATE
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 0.1337 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl
Sigma-Aldrich: Aldrich
For experimental / research use only.
3,3'-Dimethyl-4,4'-biphenylene Diisocyanate
TCI AMERICA
For experimental / research use only.
4,4'-Diisocyanato-3,3'-dimethyl-1,1'-biphenyl >98.0%(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:
unreported-mammal (species unspecified) LD > 5000 mg/kg
Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (7), Pg. 37, 1994.

intravenous-mouse LD50 56 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02412

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
indirect food additives: adhesives and components of coatings
Recommendation for 4,4'-diisocyanato-3,3'-dimethyl-1,1'-biphenyl usage levels up to:
 not for fragrance use.
 
Recommendation for 4,4'-diisocyanato-3,3'-dimethyl-1,1'-biphenyl 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):91-97-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7072
National Institute of Allergy and Infectious Diseases:Data
1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
Chemidplus:0000091974
EPA/NOAA CAMEO:hazardous materials
RTECS:DV3960000 for cas# 91-97-4
 
References:
 1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:91-97-4
Pubchem (cid):7072
Pubchem (sid):134971872
 
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
FDA Indirect Additives used in Food Contact Substances:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2929.10.2000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 bitolylene diisocyanate
1-isocyanato-4-(4-isocyanato-3-methylphenyl)-2-methylbenzene
isocyanic acid, 3,3'-dimethyl-4,4'-biphenylylene ester (7CI,8CI)
3,3'-dimethyl-4,4'-diisocyanatobiphenyl
 nacconate 200
 
 
Notes:
None found
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