trans-4-Methoxycinnamic acid
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trans-4-Methoxycinnamic acid
structure -
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CAS No:
943-89-5
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Formula:
C10H10O3
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Chemical Name:
trans-4-Methoxycinnamic acid
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Synonyms:
2-Propenoic acid,3-(4-methoxyphenyl)-,(2E)-;Cinnamic acid,p-methoxy-,(E)-;2-Propenoic acid,3-(4-methoxyphenyl)-,(E)-;(2E)-3-(4-Methoxyphenyl)-2-propenoic acid;trans-p-Methoxycinnamic acid;(E)-p-Methoxycinnamic acid;trans-4-Methoxycinnamic acid;(E)-4-Methoxycinnamic acid;(E)-3-(4-Methoxyphenyl)acrylic acid;trans-3-(4-Methoxyphenyl)-2-propenoic acid;(E)-3-(4-Methoxyphenyl)-2-propenoic acid;(E)-3-(4-Methoxyphenyl)acrylic acid
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CAS No:
Description
Solid
Solid
4-methoxycinnamic acid is a methoxycinnamic acid having a single methoxy substituent at the 4-position on the phenyl ring. It derives from a cinnamic acid.
trans-4-Methoxycinnamic acid Basic Attributes
178.18
178.18
510468
213-405-4
6G4ML8401A
623437|5303
DTXSID1046059|DTXSID4048147
2918990090
Characteristics
46.53000
2.36
Solid
1.2±0.1 g/cm3
188 °C
342.6±17.0 °C at 760 mmHg
138.6±14.4 °C
1.591
soluble in ethanol, ethyl acetate and other organic solvents.
140.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|146.28 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-37/39
UD3391300
Xi
P261-P305 + P351 + P338
H315-H319-H335
|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 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 52 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
trans-4-Methoxycinnamic acid Use and Manufacturing
2-Propenoic acid, 3-(4-methoxyphenyl)-: ACTIVE|2-Propenoic acid, 3-(4-methoxyphenyl)-, (2E)-: INACTIVE
Computed Properties
Molecular Weight:178.18
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:190
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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