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pentanoic acid, 2-methylpropyl ester
Notes:
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| CAS Number: | 10588-10-0 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 234-191-9 | |
| FDA UNII: | Search | |
| Nikkaji Web: | J100.893E | |
| CoE Number: | 2303 | |
| XlogP3-AA: | 2.80 (est) | |
| Molecular Weight: | 158.24086000 | |
| Formula: | C9 H18 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: flavor and 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 |
| DG SANTE Food Flavourings: | 09.250 isobutyl valerate |
Physical Properties:
Organoleptic Properties:
| Odor Type: fruity | |
| ethereal fruity | |
| Odor Description: at 10.00 % in dipropylene glycol. | ethereal fruity |
| Flavor Type: fruity | |
| sweet fruity apple strawberry | |
| Taste Description: | sweet fruity apple strawberry |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing. | |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and 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 isobutyl valerate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 10588-10-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 66356 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 3272 |
| WGK Germany: | 3 |
| 2-methylpropyl pentanoate | |
| Chemidplus: | 0010588100 |
References:
| 2-methylpropyl pentanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 10588-10-0 |
| Pubchem (cid): | 66356 |
| Pubchem (sid): | 135023522 |
| 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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| banana | FR | |
| fruit | FR | |
| modifier | ||
| saffron | FR | |
| wine | FR |
Occurrence (nature, food, other): note
| apple juice Search PMC Picture | |
| cheese cheddar cheese Search PMC Picture | |
| rum Search PMC Picture | |
| strawberry wild strawberry fruit Search Trop Picture | |
| tomato Search Trop Picture | |
| vanilla Search Picture | |
| wine Search Picture |
Synonyms:
| iso | butyl N-valerate |
| iso | butyl pentanoate |
| iso- | butyl-valerate |
| 2- | methylpropyl pentanoate |
| pentanoic acid 2-methyl propyl ester | |
| pentanoic acid 2-methylpropyl ester | |
| pentanoic acid, 2-methylpropyl ester | |
| valeric acid, isobutyl ester |