Articles:
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valeraldehyde, 2,3-dimethyl-
Notes:
None found
| CAS Number: | 32749-94-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 251-193-5 | |
| Nikkaji Web: | J54.450G | |
| Beilstein Number: | 1901854 | |
| XlogP3-AA: | 2.10 (est) | |
| Molecular Weight: | 114.18778000 | |
| Formula: | C7 H14 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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 |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.83200 @ 25.00 °C. |
| Boiling Point: | 134.00 to 135.00 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 8.076000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 137.00 °F. TCC ( 58.33 °C. ) |
| logP (o/w): | 2.130 (est) |
| Soluble in: | |
| alcohol | |
| water, 1558 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: green | |
| Odor Strength: | medium , recommend smelling in a 1.00 % solution or less |
| green ethereal | |
| Odor Description: at 1.00 % in dipropylene glycol. | green ethereal |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
Safety Information:
| 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 3.54 mg/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. oral-rat LD50 3540 uL/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 7.10 mg/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. skin-rabbit LD50 7100 uL/kg American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
| Inhalation Toxicity: | |
|
inhalation-rat LC > 6000 ppm/4H American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for 2,3-dimethyl valeraldehyde usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 2,3-dimethyl valeraldehyde flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61917 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2,3-dimethylpentanal | |
| Chemidplus: | 0032749943 |
| RTECS: | YV3850000 for cas# 32749-94-3 |
References:
| 2,3-dimethylpentanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 61917 |
| Pubchem (sid): | 135018348 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2912.19.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| 2,3- | dimethyl pentaldehyde |
| 2,3- | dimethyl pentanal |
| 2,3- | dimethyl-pentanal |
| 2,3- | dimethylpentaldehyde |
| 2,3- | dimethylpentanal |
| 2,3- | dimethylvaleraldehyde |
| pentanal, 2,3-dimethyl- | |
| pentanal, 2,3-dimethyl- (9CI) | |
| valeraldehyde, 2,3-dimethyl- |