(E)-3,4,5-Trimethoxycinnamic acid
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(E)-3,4,5-Trimethoxycinnamic acid
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CAS No:
20329-98-0
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Formula:
C12H14O5
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Chemical Name:
(E)-3,4,5-Trimethoxycinnamic acid
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Synonyms:
2-Propenoic acid,3-(3,4,5-trimethoxyphenyl)-,(2E)-;Cinnamic acid,3,4,5-trimethoxy-,(E)-;2-Propenoic acid,3-(3,4,5-trimethoxyphenyl)-,(E)-;(2E)-3-(3,4,5-Trimethoxyphenyl)-2-propenoic acid;3,4,5-Trimethoxy-trans-cinnamic acid;(E)-3,4,5-Trimethoxycinnamic acid;(E)-3,4,5-Trimethoxyphenylacrylic acid;trans-3,4,5-Trimethoxycinnamic acid;(E)-3-(3,4,5-Trimethoxyphenyl)acrylic acid;(E)-3-(3,4,5-Trimethoxyphenyl)acrylic acid;(E)-3,4,5-Trimethoxycinnamic acid
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CAS No:
Description
Solid
Solid
3,4,5-trimethoxycinnamic acid is a methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. It has a role as an allergen. It is a conjugate acid of a 3,4,5-trimethoxycinnamate.
(E)-3,4,5-Trimethoxycinnamic acid Basic Attributes
238.24
238.24
201-999-8
C9096D920O
66175
DTXSID7059010
Characteristics
65
1.4
Solid
1.2±0.1 g/cm3
124-125 °C
396.4°C at 760 mmHg
151.5±20.0 °C
1.560
3040 mg/L @ 25 °C (est)
Safety Information
2
24/25
GE0722000
P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501
H315
|Warning|H317 (92.96%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 71 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(E)-3,4,5-Trimethoxycinnamic acid Use and Manufacturing
2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-: ACTIVE
Computed Properties
Molecular Weight:238.24
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:238.08412354
Monoisotopic Mass:238.08412354
Topological Polar Surface Area:65
Heavy Atom Count:17
Complexity:262
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(E)-3,4,5-Trimethoxycinnamic acid
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