2-Propen-1-yl benzeneacetate
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2-Propen-1-yl benzeneacetate
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CAS No:
1797-74-6
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Formula:
C11H12O2
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Chemical Name:
2-Propen-1-yl benzeneacetate
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Synonyms:
Benzeneacetic acid,2-propen-1-yl ester;Acetic acid,phenyl-,allyl ester;Benzeneacetic acid,2-propenyl ester;2-Propen-1-yl benzeneacetate;Allyl phenylacetate;NSC 6574;Allyl 2-phenylethanoate
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CAS No:
Description
A colorless liquid with sweet honey-like, but faint odor and sweet fruity undertones.
Colourless, slightly viscous liquid with a honey-like odour
2-Propenyl phenylacetate is a member of benzenes.
2-Propen-1-yl benzeneacetate Basic Attributes
176.21
176.21
217-281-2
3D2NBC7K7Q
6574
DTXSID8061977
29163990
Characteristics
26.3
2.81
Colourless, slightly viscous liquid with a honey-like odour
1.037 g/mL at 25 °C(lit.)
239-240 °C(lit.)
>230 °F
n 20/D 1.508(lit.)
181.9 mg/L @ 25 °C (est)
0.0171mmHg at 25°C
The acute oral LD 50 value in rats was reported as 0.65 g/kg and the acute dermal LD 50 value in rabbits as >0.31 g/kg
Safety Information
NONH for all modes of transport
3
20/21/22-36/37/38
26-37/39
AJ2450000
Xn
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 1573 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, and P501
2-Propen-1-yl benzeneacetate Use and Manufacturing
It is formed by direct esterification of phenylacetic acid and allyl alcohol in benzene solution.
Allyl Phenylacetate is a synthetic flavoring agent that is a stable, colorless to light yellow liquid with a fruity odor of banana and honey. it should be stored in glass or tin containers. it is used in flavors for honey and has application in candy and baked goods at 10–15 ppm.
Benzeneacetic acid, 2-propen-1-yl ester: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:176.21
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:176.083729621
Monoisotopic Mass:176.083729621
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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