Benzyl tiglate
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Benzyl tiglate
structure -
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CAS No:
37526-88-8
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Formula:
C12H14O2
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Chemical Name:
Benzyl tiglate
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Synonyms:
2-Butenoic acid,2-methyl-,phenylmethyl ester,(2E)-;2-Butenoic acid,2-methyl-,phenylmethyl ester,(E)-;Tiglic acid benzyl ester;Benzyl tiglate;NSC 69098
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CAS No:
Description
Benzyl tiglate has an odor reminiscent of mushroom, with a rosy undertone.
colourless liquid with a mushroom odour with rosy undertone
Benzyl tiglate Basic Attributes
190.24
190.24
2556119
253-544-8
67UEP899RR
69098
DTXSID3047130
2916190090
Characteristics
26.3
2.69600
1.0431 g/cm3 @ Temp: 12 °C
139 °C @ Press: 9 Torr
>230 °F
n20/D 1.522(lit.)
insoluble in water; soluble in organic solvents, oils|miscible at room temperature (in ethanol)
Safety Information
2
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 187 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzyl tiglate Use and Manufacturing
It is formed by direct esterification of each acid and benzyl alcohol under azeotropic conditions.
GB 2760-1996 stipulates that it is temporarily allowed to use food spices.
2-Butenoic acid, 2-methyl-, phenylmethyl ester, (2E)-: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:190.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:190.099379685
Monoisotopic Mass:190.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:212
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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