Ferulic acid

C₁₀H₁₀O₄CAS 537-98-4194.19 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether Phenol

Properties

Molecular formula: C₁₀H₁₀O₄
Molar mass: 194.19 g/mol
Exact mass: 194.0579 Da
Melting point: 169–170 °C
pKa: 4.58
logP: 1.50Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 329 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

537-98-4

SMILES

COc1cc(/C=C/C(=O)O)ccc1O

InChIKey

KSEBMYQBYZTDHS-HWKANZROSA-N

InChI

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+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2E)-
Cinnamic acid, 4-hydroxy-3-methoxy-, (E)-
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (E)-
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
trans-Ferulic acid
(E)-4-Hydroxy-3-methoxycinnamic acid
trans-4-Hydroxy-3-methoxycinnamic acid
(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
(E)-Ferulic acid
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-acrylic acid
(2E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid
Fumalic acid
(E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acid
TCI-CA 01

Work with Ferulic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ferulic acid1135-24-6Stereo not defined Sodium ferulate24276-84-4Salt, stereo not defined

Similar compounds

Isoferulic acid537-73-579 % similar 3,4-Dimethoxycinnamic acid14737-89-476 % similar 3′,4′-Dimethoxycinnamic acid2316-26-976 % similar Dehydrozingerone1080-12-271 % similar Methyl ferulate2309-07-169 % similar Curcumin458-37-769 % similar Sinapinic acid530-59-668 % similar Caffeic acid331-39-566 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Hydroquinone diacetate1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Dimethyl isophthalate1459-93-4 Methyl 5-acetylsalicylate16475-90-4 3-Acetoxy-O-toluic acid168899-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia