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trans-4-Methoxycinnamic acid

trans-4-Methoxycinnamic acid structure

CAS No:
943-89-5
Formula:
C10H10O3
Chemical Name:
trans-4-Methoxycinnamic acid
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
Categories:
Cosmetic Ingredient > Light Stabilizer

Description

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

Molecular Weight：

178.18

Exact Mass：

178.18

BRN：

510468

EC Number：

213-405-4

UNII：

6G4ML8401A

NSC Number：

623437|5303

DSSTox ID：

DTXSID1046059|DTXSID4048147

HScode：

2918990090

Characteristics

PSA：

46.53000

XLogP3：

2.36

Appearance：

Solid

Density：

1.2±0.1 g/cm3

Melting Point：

188 °C

Boiling Point：

342.6±17.0 °C at 760 mmHg

Flash Point：

138.6±14.4 °C

Refractive Index：

1.591

Water Solubility：

soluble in ethanol, ethyl acetate and other organic solvents.

Collision Cross Section：

140.8 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|146.28 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

RTECS Number：

UD3391300

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|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.

Drug Information

MeSH Entry Terms：

4-methoxycinnamate

trans-4-Methoxycinnamic acid Use and Manufacturing

Manufacturing Info：

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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CAS No.: 943-89-5

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4-Methoxycinnamic acid

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Guide of trans-4-Methoxycinnamic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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trans-4-Methoxycinnamic acid

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