Basic information
- Name:
Heptanoicacid, 2-propen-1-yl ester
- Superlist Name:
- Allyl heptanoate
- CAS No.:
142-19-8
- Molecular Structure:
- Formula:
- C10H18O2
- Molecular Weight:
- 170.25
- Synonyms:
- Heptanoicacid, 2-propenyl ester (9CI);Heptanoic acid, allyl ester (6CI,7CI,8CI);2-Propenyl heptanoate;Allyl enanthate;Allyl heptoate;Allylheptylate;NSC 20969;
- EINECS:
- 205-527-1
- Density:
- 0.885 g/cm3
- Boiling Point:
- 214 °C at 760 mmHg
- Flash Point:
- 82.2 °C
- Solubility:
- INSOLUBLE
- Appearance:
- clear colourless liquid
- Hazard Symbols:
Xn- Risk Codes:
- 21/22-20/21/22
- Safety Description:
- 36/37 Details
- Transport Information:
- UN 2810 6.1/PG 3
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Chemistry
Structure of Heptanoicacid, 2-propen-1-yl ester (CAS NO.142-19-8):
IUPAC Name: prop-2-enyl heptanoate
Empirical Formula: C10H18O2
Molecular Weight: 170.2487
EINECS: 205-527-1
Index of Refraction: 1.432
Molar Refractivity: 49.87 cm3
Molar Volume: 192.1 cm3
Polarizability: 19.77×10-24cm3
Surface Tension: 28.4 dyne/cm
Density: 0.885 g/cm3
Flash Point: 82.2 °C
Enthalpy of Vaporization: 45.03 kJ/mol
Boiling Point: 214 °C at 760 mmHg
Vapour Pressure: 0.16 mmHg at 25°C
Melting Point: clear colourless liquid
Product Categories: A-B;Alphabetical Listings;Flavors and Fragrances;lactone flavors
Synonyms of Heptanoicacid, 2-propen-1-yl ester (CAS NO.142-19-8): 2-Propenyl heptanoate ; Allyl enanthate ; Allyl heptanoate ; Allyl heptoate ; Allyl heptylate ; Allylester kyseliny enanthove ; Heptanoic acid, 2-propenyl ester ; Heptanoic acid, allyl ester
Uses
Heptanoicacid, 2-propen-1-yl ester (CAS NO.142-19-8) is used to make daily chemical fragrance and flavor.
Toxicity Data With Reference
| 1. | skn-hmn 20 mg/48H MLD | FCTXAV Food and Cosmetics Toxicology. 15 (1977),611. | ||
| 2. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 15 (1977),611. | ||
| 3. | orl-rat LD50:500 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 6 (1964),378. | ||
| 4. | orl-mus LD50:630 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 7 (1965),18. | ||
| 5. | skn-rbt LD50:810 mg/kg | FCTXAV Food and Cosmetics Toxicology. 15 (1977),611. | ||
| 6. | orl-gpg LD50:444 mg/kg | FCTXAV Food and Cosmetics Toxicology. 2 (1964),327. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion and skin contact. A human skin irritant. See also ALLYL COMPOUNDS and ESTERS. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: 
Xn
Risk Statements: 21/22-20/21/22
R21/22:Harmful in contact with skin and if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3
RTECS: MJ1750000
PackingGroup: III