ChemicalBook--->CAS DataBase List--->537-98-4

537-98-4

537-98-4 Structure

537-98-4 Structure
IdentificationMore
[Name]

trans-Ferulic acid
[CAS]

537-98-4
[Synonyms]

(2E)-3-(4-HYDROXY-3-METHOXYPHENYL)ACRYLIC ACID
3-(4-HYDROXY-3-METHOXYPHENYL)ACRYLIC ACID
3-METHOXY-4-HYDROXYCINNAMIC ACID
4-HYDROXY-3-METHOXYCINNAMIC ACID
AKOS BBS-00006472
AURORA 17401
BUTTPARK 121\04-54
(E)-3-(4-HYDROXY-3-METHOXY-PHENYL)-ACRYLIC ACID
FERULIC ACID
FERULLIC ACID
LABOTEST-BB LT00453064
OTAVA-BB BB7016261120
RARECHEM BK HW 0087
TIMTEC-BB SBB000326
TRANS-4-HYDROXY-3-METHOXYCINNAMIC ACID
TRANS-FERULIC ACID
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
(e)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoicacid
(e)-ferulicacid
[EINECS(EC#)]

208-679-7
[Molecular Formula]

C10H10O4
[MDL Number]

MFCD00004400
[Molecular Weight]

194.18
[MOL File]

537-98-4.mol
Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

168-172 °C(lit.)
[Boiling point ]

250.62°C (rough estimate)
[density ]

1.316(20.0000℃)
[refractive index ]

1.5030 (estimate)
[Fp ]

150℃
[storage temp. ]

Store below +30°C.
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

powder
[pka]

4.58±0.10(Predicted)
[color ]

slightly yellow
[Stability:]

Stable. Incompatible with strong oxidizing agents.
[biological source]

synthetic
[Water Solubility ]

Soluble in alcohol and hot water.
[Merck ]

14,4062
[BRN ]

1371483
[Major Application]

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
[InChI]

1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
[InChIKey]

KSEBMYQBYZTDHS-HWKANZROSA-N
[SMILES]

O(C)c1c(ccc(c1)\C=C\C(=O)O)O
[LogP]

1.641 (est)
[CAS DataBase Reference]

537-98-4(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (e)-(537-98-4)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

UD3365500
[TSCA ]

Yes
[HS Code ]

29189900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Pyridine-->Malonic acid-->Vanillin
Hazard InformationBack Directory
[Chemical Properties]

solid
[Uses]

trans-Ferulic acid was used for esterification of methacrylated dextran. It was also used to study the effect of oral administration of trans-ferulic acid to c57BL mice on ethanol-induced liver injury. Furthermore, it has been used in the synthesis of new biocompatible antioxidant polymers linking trans-ferulic acid.
[Definition]

ChEBI: Ferulic acid is a ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. It has a role as an antioxidant, a MALDI matrix material, a plant metabolite, an anti-inflammatory agent, an apoptosis inhibitor and a cardioprotective agent. It is a conjugate acid of a ferulate.
[General Description]

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.
[Biochem/physiol Actions]

Hydroxycinnamic acid found in plant-based foods. Antioxidant.
[storage]

Store at -20°C
[Purification Methods]

Crystallise ferulic acid from H2O. [Beilstein 10 H 436, 10 IV 1776.]
Spectrum DetailBack Directory
[Spectrum Detail]

trans-Ferulic acid(537-98-4)MS
trans-Ferulic acid(537-98-4)1HNMR
trans-Ferulic acid(537-98-4)IR1
trans-Ferulic acid(537-98-4)IR2
trans-Ferulic acid(537-98-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

trans-4-Hydroxy-3-methoxycinnamic acid, 99%(537-98-4)
[Sigma Aldrich]

537-98-4(sigmaaldrich)
[TCI AMERICA]

trans-Ferulic Acid,>98.0%(LC)(T)(537-98-4)
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