The Good Scents Company - Aromatic/Hydrocarbon/Inorganic Ingredients Catalog information
| Name: | 3-methylbut-3-enyl 2,2-dimethylpropanoate | |
| CAS Number: | 104468-21-5 |  3D/inchi
|
| ECHA ELINCS - REACH Pre-Reg: | 415-610-6 | |
| FDA UNII: | Search | |
| Molecular Weight: | 170.25186000 | |
| Formula: | C10 H18 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge 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: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86780 @ 25.00 °C. |
| Refractive Index: | 1.42000 to 1.42400 @ 20.00 °C. |
| Boiling Point: | 130.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 64.00 °C. @ 18.00 mm Hg |
| Flash Point: | 137.00 °F. TCC ( 58.33 °C. ) |
| Soluble in: | |
| alcohol | |
| water, 49.73 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water |
Organoleptic Properties:
| Odor Type: herbal |
| Odor Strength:medium , recommend smelling in a 10.00 % solution or less |
| Substantivity:3 hour(s) at 100.00 % |
| fresh herbal fruity floral chamomile rose red rose |
| Odor Description:at 10.00 % in dipropylene glycol. fresh herbal fruity floral chamomile red rose Luebke, William tgsc, (1988) |
| Odor sample from: Henkel Corporation |
| Odor and/or flavor descriptions from others (if found). |
| Pell Wall Perfumes |
| Romilat |
| Odor Description:Fresh, herbal-chamomile and bay, floral-rose A very versatile fresh, herbal material with a distinctly chamomile character. Developed by Henkel, better known for Ambroxan, now produced by Kao. Adds a natural quality to lavender notes, Fougeres and many other fragrance types and can also contribute complexity to rose notes and other florals. Very diffusive. |
Cosmetic Information:
Suppliers:
| Associate Allied Chemicals |
| Romilat |
| About |
| Ernesto Ventós |
| ROMILAT KAO
Odor: FRESH, HERBAL, FRUITY, FLOWERY |
| Kao Corporation |
| ROMILAT
Odor: Fresh-herbal with fruity-flowery undertones |
| Pell Wall Perfumes |
| Romilat
Odor: Fresh, herbal-chamomile and bay, floral-rose Use: A very versatile fresh, herbal material with a distinctly chamomile character. Developed by Henkel, better known for Ambroxan, now produced by Kao. Adds a natural quality to lavender notes, Fougeres and many other fragrance types and can also contribute complexity to rose notes and other florals. Very diffusive. |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
|
R 38 - Irritating to skin. R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 37 - Wear suitable gloves. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| 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: | |
| 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 chamomile propionate usage levels up to: | |
| 5.0000 % in the fragrance concentrate. | |
| Recommendation for chamomile propionate flavor usage levels up to: | |
| not for flavor use. |
Safety References:
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):104468-21-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :53428828 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 3-methylbut-3-enyl 2,2-dimethylpropanoate |
| Chemidplus:0104468215 |
References:
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: | 2915.90.0000 |
Potential Blenders and core components note
Potential Uses:
| FR | chamomile |
| FR | chypre |
| FR | fern |
| FR | frankincense |
| FR | herbal |
| FR | moss |
| FR | patchouli |
Occurrence (nature, food, other):note
Synonyms:
| 2,2- | dimethyl propionic acid 3-methyl-3-butenyl ester |
| 2,2- | dimethyl-3-methyl-3-butenyl propanoate |
| 3- | methyl-3-butenyl 2,2-dimethyl propionate |
| 3- | methylbut-3-enyl 2,2-dimethylpropanoate |
| romilat |