1,6-diisocyanatohexane
hexamethylene diisocyanate
 
Notes:
None found
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CAS Number: 822-06-0Picture of molecule3D/inchi
Other: 1196968-38-3
ECHA EINECS - REACH Pre-Reg: 212-485-8
FDA UNII: 0I70A3I1UF
Nikkaji Web: J13.123G
Beilstein Number: 0956709
MDL: MFCD00002047
XlogP3-AA: 3.20 (est)
Molecular Weight: 168.19604000
Formula: C8 H12 N2 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: indirect food additives: adhesives and components of coatings
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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DG SANTE Food Contact Materials: hexamethylene diisocyanate
FDA Mainterm (IAUFC):822-06-0 ; HEXAMETHYLENE DIISOCYANATE
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Physical Properties:
Appearance: colorless crystalline solid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.04000 @  25.00 °C.
Flash Point: 284.00 °F. TCC ( 140.00 °C. )
Soluble in:
 water, 117 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
EMD Millipore
For experimental / research use only.
1,6-Diisocyanatohexane
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,6-Diisocyanatohexane 98%
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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:
intravenous-mouse LD50  5600 ug/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07805

oral-mouse LD50  350 mg/kg
Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980.

oral-rat LD50  710 uL/kg
American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Dermal Toxicity:
skin-rabbit LD50 570 uL/kg
American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Inhalation Toxicity:
inhalation-mouse LC50 30 mg/m3
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 74, 1982.

inhalation-rat LCLo 60 mg/m3/4H
LUNGS, THORAX, OR RESPIRATION: DYSPNEA SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 12(10), Pg. 40, 1968.

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Safety in Use Information:
Category: indirect food additives: adhesives and components of coatings
Recommendation for 1,6-diisocyanatohexane usage levels up to:
 not for fragrance use.
 
Recommendation for 1,6-diisocyanatohexane flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA-Iris: IRIS
NIOSH International Chemical Safety Cards: search
NIOSH Pocket Guide: search
Chemical Carcinogenesis Research Information System: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 822-06-0
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 13192
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 1
 1,6-diisocyanatohexane
Chemidplus: 0000822060
EPA/NOAA CAMEO: hazardous materials
RTECS: 822-06-0
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References:
 1,6-diisocyanatohexane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 822-06-0
Pubchem (cid): 13192
Pubchem (sid): 134977770
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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
CHEBI: View
CHEMBL: View
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2929.10.6090
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
isocyanic acid, hexamethylene ester
 hexamethylene diisocyanate
 hexane, 1,6-diisocyanato-
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