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Allyl heptanoate
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Name

Allyl heptanoate

 EINECS 205-527-1
CAS No. 142-19-8 Density 0.885 g/cm3
PSA 26.30000 LogP 2.68600
Solubility INSOLUBLE Melting Point -66 °C
Formula C10H18O2 Boiling Point 214 °C at 760 mmHg
Molecular Weight 170.252 Flash Point 82.2 °C
Transport Information UN 2810 6.1/PG 3 Appearance clear colourless liquid
Safety 36/37 Risk Codes 21/22-20/21/22
Molecular Structure Molecular Structure of 142-19-8 (Allyl heptanoate) Hazard Symbols HarmfulXn
Synonyms

Heptanoicacid, 2-propenyl ester (9CI);Heptanoic acid, allyl ester (6CI,7CI,8CI);2-Propenyl heptanoate;Allyl enanthate;Allyl heptoate;Allylheptylate;NSC 20969;

Article Data 3

Allyl heptanoate Chemical Properties

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

Allyl heptanoate Uses

  Heptanoicacid, 2-propen-1-yl ester (CAS NO.142-19-8) is used to make daily chemical fragrance and flavor.

Allyl heptanoate 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.

Allyl heptanoate Consensus Reports

Reported in EPA TSCA Inventory.

Allyl heptanoate 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: HarmfulXn
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

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