Articles:
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ethylheptane
Notes:
Present in numerous plant oils incl. olive oils
Nonane is a linear alkane hydrocarbon with the chemical formula C9H20. Nonane has 35 structural isomers. (Wikipedia)
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| CAS Number: | 111-84-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 203-913-4 | |
| FDA UNII: | T9W3VH6G10 | |
| Nikkaji Web: | J34.957G | |
| Beilstein Number: | 1696917 | |
| MDL: | MFCD00009574 | |
| XlogP3: | 4.50 (est) | |
| Molecular Weight: | 128.25840000 | |
| Formula: | C9 H20 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: fragrance agents
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 |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.71800 @ 25.00 °C. |
| Melting Point: | -53.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 149.00 to 152.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 70.00 to 71.00 °C. @ 50.00 mm Hg |
| Vapor Pressure: | 4.633000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.41 ( Air = 1 ) |
| Flash Point: | 88.00 °F. TCC ( 31.11 °C. ) |
| logP (o/w): | 5.293 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | refrigerate in tightly sealed containers. |
| Soluble in: | |
| alcohol | |
| water, 0.4058 mg/L @ 25 °C (est) | |
| water, 220 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Description: | gasoline |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| n-Nonane >99.5% |
| Sigma-Aldrich |
| For experimental / research use only. |
| Nonane anhydrous, ≥99% |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xn N - Harmful, Dangerous for the environment. | |
|
R 10 - Flammable. R 20 - Harmful by inhalation. R 53 - May cause long-term adverse effects in the aquatic wnvironment. R 65 - Harmful: may cause lung damage if swallowed. R 67 - Vapours may cause frowsiness and dizziness. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. 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 LD50 218 mg/kg Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
|
inhalation-rat LC50 3200 ppm/4H Toxicology and Applied Pharmacology. Vol. 44, Pg. 53, 1978. | |
Safety in Use Information:
| Category: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for nonane flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| 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): | 111-84-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 8141 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1920 |
| WGK Germany: | 1 |
| nonane | |
| Chemidplus: | 0000111842 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | 111-84-2 |
References:
| nonane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 111-84-2 |
| Pubchem (cid): | 8141 |
| Pubchem (sid): | 134975356 |
| Flavornet: | 111-84-2 |
| Pherobase: | View |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| KEGG (GenomeNet): | C02445 |
| HMDB (The Human Metabolome Database): | HMDB29595 |
| FooDB: | FDB000757 |
| Export Tariff Code: | 2901.10.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: grades: technical (95%); 99%; research. | |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| bay laurel leaf oil Search Trop Picture | |
| coriander leaf oil @ 0.36-1.28% Data GC Search Trop Picture | |
| ginger oil Search Trop Picture | |
| ginger rhizome Search Trop Picture | |
| grapefruit oil c.p. russia @ 0.01% Data GC Search Trop Picture | |
| hypericum dogonbadanicum assadi oil iran @ 2.80% Data GC Search Trop Picture | |
| jambu flower oil brazil @ 0.20% Data GC Search Trop Picture | |
| lecythis usitata miers. var. paraensis (ducke) r. kunth. flower oil brazil @ 1.10% Data GC Search Trop Picture | |
| lime fruit Search Trop Picture | |
| lime oil distilled mexico @ 0.03% Data GC Search Trop Picture | |
| lime oil distilled peru @ 0.03% Data GC Search Trop Picture | |
| oregano plant Search Trop Picture | |
| pepper black pepper fruit Search Trop Picture | |
| pepper black pepper seed Search Trop Picture | |
| pittosporum spp. fruit oil malaysia @ 13.60% Data GC Search Trop Picture | |
| tomato Search Trop Picture | |
| witch hazel leaf oil @ 0.01% Data GC Search Trop Picture |
Synonyms:
| butylpentane | |
| ethylheptane | |
| N- | nonane |
| nonyl hydride | |
| shellsol 140 |