| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | prop-2-enyl butanoate |
| InChI : | InChI=1/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3 |
| InChIKey : | RMZIOVJHUJAAEY-UHFFFAOYAX |
| SMILES : | CCCC(=O)OCC=C |
| cas number : | 2051-78-7 |
| (EINECS) number : | 218-129-8 |
| beilstein number : | 1751642 |
| fema number : | 2021 |
| coe number : | 280 |
| jecfa number : | 2 |
| fl. number : | 09.054 |
| molar refractivity : | 35.97 ± 0.3 cm3 |
| parachor : | 324.3 ± 4.0 cm3 |
| index of refraction : | 1.418 ± 0.02 |
| surface tension : | 26.7 ± 3.0 dyne/cm |
| density : | 0.898 ± 0.06 g/cm3 |
| polarizability : | 14.26 ± 0.5 10-24cm3 |
| XlogP : | 1.70 |
| XlogP3-AA : | 1.60 |
| molecular weight : | 128.1689800 (IUPAC) |
| formula : | C7 H12 O2 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2915.60.0000 |
| fda reg : | 172.515 |
Suppliers :
|
| Berje : | Allyl Butyrate
|
| Frutarom : | ALLYL BUTYRATE
≥98.00%, Kosher Odor: Fruity, Green, Pineapple, Sweet, Waxy |
| Inoue : | ALLYL BUTYRATE
|
| Nanjing : | allyl butyrate
|
| Penta : | allyl butyrate
|
| Pfaltz & Bauer : | Allyl N-Butyrate
|
| Sigma-Aldrich-SAFC : | Allyl butyrate
≥98%, Kosher Odor: apricot; peach |
organoleptics :
|
| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet pungent fruity green pineapple waxy tropical |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90000 to 0.90500 @ 20.00 °C.
|
| pounds per gallon - calc. : | 7.498 to 7.539
|
| refractive index : | 1.41200 to 1.41700 @ 20.00 °C.
|
| boiling point : | 154.00 to 155.00 °C. @ 760.00 mm Hg
|
| boiling point : | 44.00 to 45.00 °C. @ 15.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| flash point : | 114.00 °F. TCC ( 45.56 °C. )
|
| logP (o/w) : | 2.20 |
safety :
|
| most important hazard(s) : | Xn - Harmful. |
| |
R 10 - Flammable. R 21/22 - Harmful in contact with skin and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
|
| Oral Toxicity(LD50) : |
| |
Oral-Rat 250.00 mg/kg Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964.
|
| Dermal Toxicity(LD50) : |
| |
Skin-Rabbit 530.00 mg/kg Food and Cosmetics Toxicology. Vol. 15, Pg. 613, 1977.
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| |
| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl butyrate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
|
| recommendation for allyl butyrate usage levels up to : |
| | 10.0000 ppm in the flavor.
|
safety references :
|
| EPI System : | view |
| IFRA : | IFRA - ( Found under : Allyl esters ) |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| |
| WGK Germany : | 3 |
| |
| |
| |
| | prop-2-enyl butanoate
|
| (EINECS) number : | 218-129-8 |
| RTECS : | ES5775000 for 2051-78-7 |
| chemidplus : | 002051787 |
| EPA Substance Registry Services : | 2051-78-7 |
| dtp/nci : | 18600 |
references :
|
| | prop-2-enyl butanoate
|
| fl. number : | 09.054 |
| jecfa number : | 2 |
| NIST Chemistry WebBook : | 2387746441 |
| pubchem : | 159584 |
Cosmetics :
|
| Cosmetic uses : |
perfuming agents
|
other :
|
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |