ChemicalBook--->CAS DataBase List--->830-09-1

830-09-1

830-09-1 Structure

830-09-1 Structure
IdentificationMore
[Name]

4-Methoxycinnamic acid
[CAS]

830-09-1
[Synonyms]

(2E)-3-(4-METHOXYPHENYL)ACRYLIC ACID
3-(4-methoxyphenyl)-2-propenoic acid
3-(4-METHOXY-PHENYL)-ACRYLIC ACID
4-METHOXYCINNAMIC ACID
AKOS B000181
AKOS BB/0034
AKOS BBS-00000769
(E)-3-(4-METHOXYPHENYL)ACRYLIC ACID
LABOTEST-BB LT00108121
METHOXYCINNAMIC ACID,4-
O-METHYL-P-COUMARIC ACID
O-METHYL-P-CUMARIC ACID
OTAVA-BB BB0123400502
PMCA
P-METHOXYCINNAMIC ACID
RARECHEM BK HC T257
TIMTEC-BB SBB005717
TRANS-3-(4-METHOXYPHENYL)ACRYLIC ACID
TRANS-4-METHOXYCINNAMIC ACID
(2E)-3-(4-Methoxyphenyl)-2-propenoic acid
[EINECS(EC#)]

213-405-4
[Molecular Formula]

C10H10O3
[MDL Number]

MFCD00004398
[Molecular Weight]

178.18
[MOL File]

830-09-1.mol
Chemical PropertiesBack Directory
[Appearance]

white fine crystalline powde
[Melting point ]

173.5 °C(lit.)
[Boiling point ]

250.41°C (rough estimate)
[density ]

1.1479 (rough estimate)
[refractive index ]

1.5088 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Soluble in dimethyl sulfoxide and methanol.
[form ]

Fine Crystalline Powder
[pka]

pK1:4.539 (25°C)
[color ]

White
[Detection Methods]

HPLC,NMR
[InChI]

InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)
[InChIKey]

AFDXODALSZRGIH-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C=CC1=CC=C(OC)C=C1
[LogP]

2.680
[CAS DataBase Reference]

830-09-1(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Propenoic acid, 3-(4-methoxyphenyl)-(830-09-1)
[EPA Substance Registry System]

830-09-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

UD3391300
[F ]

8
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29173990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-(4-Methoxyphenyl)-2-propenoic acid(830-09-1).msds
Hazard InformationBack Directory
[Chemical Properties]

white fine crystalline powde
[Uses]

4-Methoxycinnamic acid(p-MCA) exerted antihyperglycemic/hypoglycemic effect by stimulating insulin secretion from pancreas and could be developed into a new potential for therapeutic agent used in type 2 diabetic patients.
[Definition]

ChEBI: A methoxycinnamic acid having a single methoxy substituent at the 4-position on the phenyl ring.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 79, p. 3452, 1957 DOI: 10.1021/ja01570a037
Tetrahedron Letters, 31, p. 5913, 1990 DOI: 10.1016/S0040-4039(00)97992-9
[Synthesis]

4-methoxycinnamic acid is synthesized by refluxing 4-coumaric acid with potassium carbonate and methyl iodide in acetone[1].
[Purification Methods]

Crystallise the acid from MeOH to constant melting point and UV spectrum. [Beilstein 10 IV 1005.]
[References]

[1] Hidalgo, W., Kai, M., & Schneider, B. (2015). 4-Methoxycinnamic acid – An unusual phenylpropanoid involved in phenylphenalenone biosynthesis in Anigozanthos preissii. Phytochemistry, 117, 476–481. https://doi.org/10.1016/j.phytochem.2015.07.017
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methoxycinnamic acid(830-09-1)1HNMR
4-Methoxycinnamic acid(830-09-1)FT-IR
4-Methoxycinnamic acid(830-09-1)IR
4-Methoxycinnamic acid(830-09-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

p-Methoxycinnamic acid, predominantly trans, 99%(830-09-1)
[Sigma Aldrich]

830-09-1(sigmaaldrich)
[TCI AMERICA]

4-Methoxycinnamic Acid,>98.0%(T)(830-09-1)
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