| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 629-78-7 |
| ECHA EC Number: | 211-108-4 |
| FDA UNII: | H7C0J39XUM |
| Category: | fragrance agents |
| IUPAC Name: | heptadecane |
| InChI : | InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 |
| Std.InChI: | InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3 |
| InChIKey : | NDJKXXJCMXVBJW-UHFFFAOYAV |
| Std.InChIKey: | NDJKXXJCMXVBJW-UHFFFAOYSA-N |
| SMILES : | CCCCCCCCCCCCCCCCC |
| MDL: | MFCD00009002 |
| Molar Refractivity : | 80.80 ± 0.3 cm3 (est) |
| Parachor : | 708.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.435 ± 0.02 (est) |
| Surface Tension : | 27.5 ± 3.0 dyne/cm (est) |
| Density : | 0.777 ± 0.06 g/cm3 (est) |
| Polarizability : | 32.03 ± 0.5 10-24cm3 (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.77700 @ 25.00 °C. |
| Refractive Index: | 1.43600 @ 20.00 °C. |
| Melting Point: | 20.00 to 22.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 299.00 to 302.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 8.3 ( Air = 1 ) |
| Flash Point: | 300.00 °F. TCC ( 148.89 °C. ) |
| logP (o/w): | 9.369 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.0002938 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| BOC Sciences |
| For experimental / research use only. |
| Heptadecane 95% |
| EMD Millipore |
| For experimental / research use only. |
| n-Heptadecane |
| Penta International |
| N-HEPTADECANE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Heptadecane |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Heptadecane 99% |
| TCI AMERICA |
| For experimental / research use only. |
| Heptadecane >99.0%(GC) |
| Vigon International |
| Heptadecane 99% |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 65 - Harmful: may cause lung damage if swallowed. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 36 - Wear suitable protective clothing. S 62 - If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. | |
| 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 LDLo 9821 mg/kg BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for heptadecane flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):629-78-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12398 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| heptadecane |
| Chemidplus:0000629787 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:MI3550000 for cas# 629-78-7 |
| heptadecane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 629-78-7 |
| Pubchem (cid): | 12398 |
| Pubchem (sid): | 134976585 |
| Flavornet: | 629-78-7 |
| Pherobase: | View |
| (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 |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| KEGG (GenomeNet): | C01816 |
| HMDB (The Human Metabolome Database): | HMDB59830 |
| FooDB: | FDB004729 |
| Export Tariff Code: | 2901.10.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| None Found |
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| N- | heptadecane |
