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1,3-bis(isocyanatomethyl)benzene
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| CAS Number: | 3634-83-1 |  3D/inchi
|
| Other(deleted CASRN): | 125671-35-4 | |
| ECHA EINECS - REACH Pre-Reg: | 222-852-4 | |
| FDA UNII: | D85XJ1813J | |
| Beilstein Number: | 0781825 | |
| MDL: | MFCD00019917 | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 188.18616000 | |
| Formula: | C10 H8 N2 O2 | |
| BioActivity Summary: | listing | |
| 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:
| Google Scholar: | Search |
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| Google Scholar: with word "volatile" | Search |
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| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
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| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| DG SANTE Food Contact Materials: | 1,3-bis(isocyanatomethyl)benzene |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.20400 to 1.20800 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 10.030 to 10.063 |
| Refractive Index: | 1.54100 to 1.54500 @ 20.00 °C. |
| Boiling Point: | 126.00 °C. @ 1.00 mm Hg |
| Boiling Point: | 293.00 to 294.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 3.215 (est) |
| Soluble in: | |
| water, 138.9 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. |
| m-Xylylene diisocyanate >98.0%(GC) |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| m-Xylylene diisocyanate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| m-Xylylene diisocyanate technical, ≥90% (GC) |
| TCI AMERICA |
| For experimental / research use only. |
| m-Xylylene Diisocyanate >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: | |
|
oral-rat LD50 5350 mg/kg "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 933, 1986. oral-mouse LD50 840 mg/kg Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | indirect food additives: adhesives and components of coatings | ||
| Recommendation for 1,3-bis-(isocyanatomethyl) benzene usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 1,3-bis-(isocyanatomethyl) benzene flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| European Food Safety Authority (EFSA) reference(s): | |
| Scientific Opinion on the safety evaluation of the substance, 1,3-bis(isocyanatomethyl)benzene, CAS No. 3634-83-1 for use in food contact materials View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 3634-83-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 19262 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 1,3-bis(isocyanatomethyl)benzene | |
| Chemidplus: | 0003634831 |
| RTECS: | NR0147000 for cas# 3634-83-1 |
References:
| 1,3-bis(isocyanatomethyl)benzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 19262 |
| Pubchem (sid): | 134984574 |
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 |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzene, 1,3-bis(isocyanatomethyl)- | |
| 1,3-bis-(iso | cyanatomethyl)-benzene |
| 1,3-bis(iso | cyanatomethyl)benzene |
| iso | cyanic acid, m-phenylenedimethylene ester |
| 1,3- | diisocyanatomethylbenzene |
| meta- | phenylene dimethylene isocyanate |
| m- | phenylenedimethylene isocyanate |
| meta- | phenylenedimethylene isocyanate |
| takenate 500 | |
| m- | xylidene diisocyanate |
| meta- | xylidene diisocyanate |
| m- | xylylene diisocyanate |
| meta- | xylylene diisocyanate |