反式4-羟基-3-甲氧基肉桂酸

Description

trans-4-hydroxy-3-methoxycinnamic acid · CAS 537-98-4 · C10H10O4. UNII AVM951ZWST. Melting Point: 168 - 171 °C; Vapor Pressure: 0.00000269 [mmHg]; LogP: log Kow = 1.51.

Identification

CAS Registry Number	537-98-4
PubChem CID	445858
Molecular formula	C10H10O4
IUPAC name	(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
UNII (FDA)	AVM951ZWST

Computed Descriptors

Molecular Weight	194.18
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	194.05790880
Monoisotopic Mass	194.05790880
Topological Polar Surface Area	66.8
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Melting Point	168 - 171 °C
Vapor Pressure	0.00000269 [mmHg]
LogP	log Kow = 1.51
LogP	1.51
Dissociation Constants	pKa = 4.58
Collision Cross Section	140.1 Ų [M-H]-

Physical description & handling notes

• cis-Form is a yellow liquid; trans-Form is a solid; [Merck Index] trans-Isomer: Tan powder; [Alfa Aesar MSDS]
• Tan powder; [Alfa Aesar MSDS]
• Solid
• 134.13 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 130.77 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 139.8 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents CIR / INCI: Antimicrobial
GHS notification summary	2.4% (8 / 329)

GHS Hazard Classification

GHS notification summary	2.4% (8 / 329)
Reported hazard statements	H315 (97.6%), H319 (97.6%), H335 (97.6%), H317 (100%)

Documented Uses

• Found in small amounts in many plants; Used as a food preservative; [Merck Index]
• Widely distributed in plants; [Alfa Aesar MSDS]
• /Ferulic acid was one of several compounds identified in/ ... a survey of 624 commercially available supplements targeted towards bodybuilding athletes...
• Synthetic Polymer MALDI Matrix Compounds
• Prepared by the interaction of vanillin, malonic acid and piperidine in pyridine for 3 weeks, then precipitating with HCl
• Ferulic acid is easily prepared in large quantities from rice bran pitch, a blackish brown waste oil with high viscosity, discharged in the process of the rice bran oil production.

Synonyms

ferulic acid; 1135-24-6; 4-Hydroxy-3-methoxycinnamic acid; 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid; Coniferic acid; 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid; 3-methoxy-4-hydroxycinnamic acid; 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-; (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid; AVM951ZWST; NSC-2821; NSC-51986; NSC-674320; CHEBI:17620; DTXSID5040673; ferulic acid, (E)-

Frequently Asked Questions

What are the CAS number and molecular formula of trans-4-hydroxy-3-methoxycinnamic acid?

CAS 537-98-4; molecular formula C10H10O4; molecular weight — g/mol.

What other names is trans-4-hydroxy-3-methoxycinnamic acid known by?

ferulic acid, 1135-24-6, 4-Hydroxy-3-methoxycinnamic acid, 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid, Coniferic acid, 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid.

What is the regulatory status of trans-4-hydroxy-3-methoxycinnamic acid?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents; CIR / INCI: Antimicrobial.

Is trans-4-hydroxy-3-methoxycinnamic acid classified as hazardous?

2.4% of GHS notifications report no hazard classification (8 of 329).

What are the key physical properties of trans-4-hydroxy-3-methoxycinnamic acid?

Melting Point: 168 - 171 °C; Vapor Pressure: 0.00000269 [mmHg]; LogP: log Kow = 1.51; LogP: 1.51.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.