Angelic acid
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Angelic acid
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CAS No:
565-63-9
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Formula:
C5H8O2
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Chemical Name:
Angelic acid
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Synonyms:
2-Butenoic acid,2-methyl-,(2Z)-;Angelic acid;Crotonic acid,2-methyl-,(Z)-;2-Butenoic acid,2-methyl-,(Z)-;(2Z)-2-Methyl-2-butenoic acid;cis-2-Methyl-2-butenoic acid;cis-α,β-Dimethylacrylic acid;(Z)-2-Methylbut-2-enoic acid;(Z)-2-Methylbutenoic acid
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CAS No:
Description
Angelic Acid is a substance found in the essential oil of Anthemis nobilis, and it exists in an ester form. Angelic acid aids in wound healing and exhibits sedative and psychotropic properties[1].
Solid
Angelic acid is the (Z)-isomer of 2-methylbut-2-enoic acid. It is found in plant species of the family Apiaceae. It has a role as a plant metabolite. It derives from an isocrotonic acid.
Characteristics
37.3
1
Solid
9.9298 g/cm3 @ Temp: 99.600078125 °C
45.5 °C
185 °C
96℃
1.451
slightly soluble in hot water
Refrigerator
Safety Information
II
8
3261
34
26-36/37/39
P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, P501
H290
|Danger|H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Angelic acid Use and Manufacturing
Flavoring extracts.
2-Butenoic acid, 2-methyl-: INACTIVE
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Flavoring Agents
Computed Properties
Molecular Weight:100.12
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:100.052429494
Monoisotopic Mass:100.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:103
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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