Basic information
- Standard SMILES
COc1ccc(C=CC(=O)O)cc1- InChIKey
AFDXODALSZRGIH-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Methoxy cinnamic acid
- IUPAC
- 3-(4-methoxyphenyl)prop-2-enoic acid
- English name
- 4-Methoxycinnamic acid
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
4-Methoxy cinnamic acidRefChem:9126353-(4-Methoxy-phenyl)-acrylic acid(E)-4-METHOXYCINNAMIC ACIDp-methoxy cinnamic acid(E)-3-(4-methoxyphenyl)-2-propenoic acidSCHEMBL58700orb1301417SCHEMBL1510086SCHEMBL4908354AFDXODALSZRGIH-UHFFFAOYSA-N3-(4-Methoxyphenyl)-acrylic acid
Show more names
P-METHOXYCINNAMIC ACID(E)-3-(4-METHOXYPHENYL)ACRYLIC ACID4-methoxycinnamateTRANS-4-METHOXYCINNAMIC ACID(E)-Methyl 3-(4-hydroxyphenyl)acrylatePara Methoxy Cinnamic AcidPMCAAKOS BB/0034AKOS B000181AKOS BBS-00000769
3-(4-methoxyphenyl)-2-propenic acidAKOS004906620trans-3-(4-Methoxyphenyl)acrylic acidNCGC00159448-05DB-056675Q27121258trans-4-Methoxycinnamic acid; p-Methoxycinnamic acid; 3-(4-Methoxyphenyl)-2-propenoic acid
Database identifiers
- CAS
830-09-1- PubChem CID
- 13245
- DTXSID
DTXSID4048147
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Physicochemical properties
- Melting point
- 173.5 °C · 173.5 °C(lit.)
- Boiling point
- 250.41 °C · 250.41°C (rough estimate)
- Density
- 1.1479 · 1.1479 (rough estimate)
- refractive index
- 1.5088 · 1.5088 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Soluble in dimethyl sulfoxide and methanol.
- pka
- 1 · pK1:4.539 (25°C)
- form
- Fine Crystalline Powder
- color
- White
- 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
- 2.68 · 2.680
- CAS DataBase Reference
- 830 · 830-09-1(CAS DataBase Reference)
- FDA UNII
- 6 G4ML8401A · 6G4ML8401A
- NIST Chemistry Reference
- 2 · 2-Propenoic acid, 3-(4-methoxyphenyl)-(830-09-1)
- EPA Substance Registry System
- 2 · 2-Propenoic acid, 3-(4-methoxyphenyl)- (830-09-1)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-36
- WGK Germany
- 3 · 3
- RTECS
- 3391300 · UD3391300
- F
- 8 · 8
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29173990 · 29173990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
Safety data
- F
- 8
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UD3391300
- hs_code
- 29173990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIt exerts anti-hyperglycemic/ hypoglycemic effect by stimulating insulin secretion from pancreas. It could be developed into a new potential therapeutic agent used in type 2 diabetic patients.
Uses4-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.
Upstream & downstream products
Downstream products
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Additional notes
DefinitionChEBI: A methoxycinnamic acid having a single methoxy substituent at the 4-position on the phenyl ring.
Related reactions
78 records
Linked notes
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