ALLYL HEPTANOATE
Allyl heptylate
CAS: 142-19-8
Molecular Formula: C10H18O2
ALLYL HEPTANOATE - Names and Identifiers
| Name | Allyl heptylate |
| Synonyms | NSC 20969 AI3-36009 FEMA 2031 FEMA No. 2031 Allyl heptoate ALLYL HEPTOATE Allyl heptylate Allyl enanthate ALLYL HEPTYLATE ALLYL ENANTHATE Allyl heptanoate ALLYL HEPTANOATE Allyl n-heptanoate 2-PROPENYL HEPTANOATE 2-Propenyl heptanoate prop-2-en-1-yl heptanoate Allyl heptanoate (natural) Heptanoic acid, allyl ester Allylester kyseliny enanthove Heptanoic acid, 2-propenyl ester Heptanoic acid, 2-propen-1-yl ester Allylester kyseliny enanthove [Czech] |
| CAS | 142-19-8 |
| EINECS | 205-527-1 |
| InChI | InChI=1/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3 |
| InChIKey | SJWKGDGUQTWDRV-UHFFFAOYSA-N |
ALLYL HEPTANOATE - Physico-chemical Properties
| Molecular Formula | C10H18O2 |
| Molar Mass | 170.25 |
| Density | 0.885g/mLat 25°C(lit.) |
| Melting Point | -66 °C |
| Boling Point | 210 °C |
| Flash Point | 180°F |
| JECFA Number | 4 |
| Water Solubility | INSOLUBLE |
| Solubility | soluble in Methanol |
| Vapor Presure | 30.3Pa at 25℃ |
| Appearance | clear liquid |
| Color | A colourless liquid. |
| BRN | 8544440 |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | n20/D 1.428(lit.) |
| Physical and Chemical Properties | colorless transparent liquid, with pineapple aroma. solubility insoluble in water. Appearance: colorless liquid |
| Use | For the preparation of daily chemical flavor and food flavor |
ALLYL HEPTANOATE - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R21/22 - Harmful in contact with skin and if swallowed. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | 36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | MJ1750000 |
| TSCA | Yes |
| HS Code | 29159000 |
| Hazard Class | 6.1 |
| Packing Group | III |
ALLYL HEPTANOATE - Reference Information
| FEMA | 2031 | ALLYL HEPTANOATE |
| LogP | 3.97 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| assay | was determined by method one in the ester assay (OT-18). The amount of the sample was 1.3g. The equivalence factor (e) in the calculation is taken as 85.10. |
| toxicity | Adl 0-0.15mg/kg(FAO/WHO). 1994). LD50 630mg/kg (mouse, oral),500mg/kg (rat, oral). GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drinks 1.3; Cold drinks 2.7; Candy 6.4; Baked goods 6.4; pudding 2.9; Gum 86. |
| Use | for the preparation of daily chemical flavor and food flavor GB 2760-1996 provisions for the temporary use of food spices allowed. |
| production method | consists of n-heptanoic acid esterified with allyl alcohol in the presence of concentrated sulfuric acid. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 500 mg/kg; Oral-mouse LD50: 630 mg/kg |
| irritation data | Skin-person 20 mg/48 h mild; skin-rabbit 500 mg/24 h moderate |
| flammability hazard characteristics | flammability; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from food raw materials |
| extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
Last Update：2024-04-09 19:05:07
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