Ferulic Acid

• CAS: 1135-24-6
• Catalog Number: ACM1135246
• Category: Other Products
• Molecular Weight: 194.18
• Molecular Formula: C10H10O4
• Synonyms: 4-Hydroxy-3-methoxycinnamic acid
• IUPAC Name: (E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid
• Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O
• 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+
• InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N
• Boiling Point: 250.62 °C
• Melting Point: 168-172 °C(lit.)
• Flash Point: 150.5 °C
• Density: 1.316 g/cm³
• Solubility: Soluble in water
• Appearance: Slightly yellow powder
• Storage: 2-8 °C
• Active Content: 95%
• Assay: 0.98
• Complexity: 224
• EC Number: 214-490-0
• Exact Mass: 194.05790880
• Grade: Industrial
• Hazard Statements: Xi
• Isomeric SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O)O
• MDL Number: MFCD00004400
• Monoisotopic Mass: 194.05790880
• Packaging: 1 kg
• Physical State: Solid
• pKa: 4.58±0.10(Predicted)
• Refractive Index: 1.5168
• Safety Description: 26-36-37/39
• Solubility In Water: Soluble
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: 2-8 °C
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 66.8 Ų

Custom Q&A

What is the molecular formula of ferulic acid?

C10H10O4

What is the molecular weight of ferulic acid?

194.18 g/mol

What are some synonyms for ferulic acid?

trans-Ferulic Acid, 4-Hydroxy-3-methoxycinnamic acid

What role does ferulic acid play?

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.

In which organisms is ferulic acid found as a natural product?

Haplophyllum griffithianum, Visnea mocanera, Saccharomyces cerevisiae

What is the InChIKey of ferulic acid?

KSEBMYQBYZTDHS-HWKANZROSA-N

What is the Canonical SMILES of ferulic acid?

COC1=C(C=CC(=C1)C=CC(=O)O)

What are some other identifiers associated with ferulic acid?

CAS numbers 537-98-4, 1135-24-6, 97274-61-8

What is the XLogP3 value of ferulic acid?

1.5

How many hydrogen bond donor count and hydrogen bond acceptor count does ferulic acid have?

2 hydrogen bond donor count, 4 hydrogen bond acceptor count.

Synthetic Use

Upstream Synthesis Route 1

• 1393347-00-6

• 1135-24-6
• 639-97-4
• 50-99-7
• 501-94-0

Reference: [1] Chemical and Pharmaceutical Bulletin, 2011, vol. 59, # 11, p. 1425 - 1429

Downstream Synthesis Route 1

• 1135-24-6
• 77-78-1

• 2316-26-9

Reference: [1] Journal of the Chemical Society, 1925, vol. 127, p. 1977

Downstream Synthesis Route 2

• 1135-24-6

• 1080-12-2

Reference: [1] European Journal of Organic Chemistry, 2014, vol. 2014, # 12, p. 2594 - 2611

Downstream Synthesis Route 3

• 1135-24-6

• 1135-23-5

Reference: [1]Advanced Synthesis and Catalysis,2013,vol. 355,p. 81 - 86

Downstream Synthesis Route 4

• 1135-24-6

• 7786-61-0

Reference: [1]Chemical and Pharmaceutical Bulletin,2001,vol. 49,p. 639 - 641

Downstream Synthesis Route 5

• 1135-24-6

• 1135-23-5

Reference: [1]Journal of Organic Chemistry,1988,vol. 53,p. 4724 - 4729

* For details of the synthesis route, please refer to the original source to ensure accuracy.