Articles:
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1,3-propylenediamine
Notes:
1,3-Diaminopropane is a stable, flammable and highly hydroscopic fluid. It is a polyamine that is normally quite toxic if swallowed, inhaled or absorbed through the skin. It is a catabolic byproduct of spermidine. It is also a precursor in the enzymatic synthesis of beta-alanine. 1,3-Diaminopropane is involved in the arginine/proline metabolic pathways and the beta-alanine metabolic pathway.
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| CAS Number: | 109-76-2 |  3D/inchi
|
| Other(deleted CASRN): | 54018-94-9 | |
| ECHA EINECS - REACH Pre-Reg: | 203-702-7 | |
| FDA UNII: | CB3ISL56KG | |
| Nikkaji Web: | J1.969K | |
| Beilstein Number: | 0605277 | |
| MDL: | MFCD00008228 | |
| XlogP3: | -1.40 (est) | |
| Molecular Weight: | 74.12670000 | |
| Formula: | C3 H10 N2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: pharmaceuticals / chemical synthisis
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 |
| FDA Mainterm (IAUFC): | 109-76-2 ; TRIMETHYLENEDIAMINE |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88800 @ 25.00 °C. |
| Refractive Index: | 1.45750 @ 20.00 °C. |
| Boiling Point: | 139.80 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 7.702000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 120.00 °F. TCC ( 48.89 °C. ) |
| logP (o/w): | -1.400 (est) |
| Soluble in: | |
| water, 1e+006 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BASF |
| 1,3-Diaminopropane |
| EMD Millipore |
| For experimental / research use only. |
| 1,3-Diaminopropane |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 1,3-Diaminopropane ≥98% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 1,3-Diaminopropane ≥99% |
| TCI AMERICA |
| For experimental / research use only. |
| 1,3-Diaminopropane >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: | |
|
intraperitoneal-mouse LD50 296 mg/kg Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977. oral-rat LD50 350 uL/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 200 uL/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | pharmaceuticals / chemical synthisis | ||
| Recommendation for 1,3-diaminopropane usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 1,3-diaminopropane flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 109-76-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 428 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| propane-1,3-diamine | |
| Chemidplus: | 0000109762 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | TX6825000 for cas# 109-76-2 |
References:
| propane-1,3-diamine | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 109-76-2 |
| Pubchem (cid): | 428 |
| Pubchem (sid): | 134973854 |
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 |
| Golm Metabolome Database: | Search |
| Metabolomics Database: | Search |
| KEGG (GenomeNet): | C00986 |
| HMDB (The Human Metabolome Database): | HMDB00002 |
| FooDB: | FDB005274 |
| YMDB (Yeast Metabolome Database): | YMDB00042 |
| Export Tariff Code: | 2921.29.0055 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| cucumber seed Search Trop Picture | |
| not found in nature |
Synonyms:
| 3- | aminopropylamine |
| 1,3- | diamino propane |
| 1,3- | diamino-N-propane |
| propane-1,3-diamine | |
| 1,3- | propane-diamine |
| 1,3- | propanediamine |
| 1,3- | propylene diamine |
| 1,3- | propylenediamine |
| trimethylene diamine | |
| trimethylenediamine | |
| 1,3- | trimethylenediamine |