Articles:
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2-propenyl 3,5,5-trimethylhexanoate
Notes:
None found
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Taytonn ASCC Pte Ltd Supplying Asia Pacific We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service. Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers. Email: Info Email: Sales Voice: + 65 - 6861 8113 Fax: + 65 - 6861 8115 Linkedin Product(s): Allyl 3,5,5-trimethylhexanoate
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| CAS Number: | 71500-37-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 275-536-3 | |
| FDA UNII: | Search | |
| Nikkaji Web: | J59.813E | |
| Beilstein Number: | 2079208 | |
| XlogP3-AA: | 3.80 (est) | |
| Molecular Weight: | 198.30574000 | |
| Formula: | C12 H22 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 |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86900 to 0.87600 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.239 to 7.298 |
| Refractive Index: | 1.42900 to 1.43300 @ 20.00 °C. |
| Boiling Point: | 208.00 to 210.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.042000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 181.00 °F. TCC ( 82.78 °C. ) |
| logP (o/w): | 4.246 (est) |
| Soluble in: | |
| alcohol | |
| water, 6.77 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| 5,5-allyl trimethyl hexanoate | |
Organoleptic Properties:
| Odor Type: fruity | |
| fruity pineapple spicy | |
| Odor Description: at 10.00 % in dipropylene glycol. | fruity pineapple spicy |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Taytonn ASCC |
| Allyl 3,5,5-trimethylhexanoate
Odor: Fruity, Spicy |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection. | |
| 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 1400 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 639, 1982. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 639, 1982. | |
| 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 | |||
| IFRA Purity Specification: | < 0.1% free allyl alcohol | ||
| Recommendation for allyl 3,5,5-trimethyl hexanoate 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 ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 51330 |
| National Institute of Allergy and Infectious Diseases: | Data |
| SCCNFP: | opinion |
| prop-2-enyl 3,5,5-trimethylhexanoate | |
| Chemidplus: | 0071500373 |
References:
| prop-2-enyl 3,5,5-trimethylhexanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 71500-37-3 |
| Pubchem (cid): | 51330 |
| Pubchem (sid): | 135009253 |
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 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| fruit | FR | |
| fruit tropical fruit | FL | |
| pineapple | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| allyl 3,5,5-trimethylhexanoate | |
| hexanoic acid, 3,5,5-trimethyl-, 2-propen-1-yl ester | |
| hexanoic acid, 3,5,5-trimethyl-, 2-propenyl ester | |
| prop-2-enyl 3,5,5-trimethylhexanoate | |
| 2- | propen-1-yl 3,5,5-trimethyl hexanoate |
| 2- | propen-1-yl 3,5,5-trimethylhexanoate |
| 2- | propenyl 3,5,5-trimethyl hexanoate |
| 2- | propenyl 3,5,5-trimethylhexanoate |
| 3,5,5- | trimethyl hexanoic acid 2-propenyl ester |
| 3,5,5- | trimethylhexanoic acid 2-propenyl ester |
| 3,5,5- | trimethylhexanoic acid allyl ester |