UCSF

ZINC00077999

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 No

Popular Name: 4-Methoxycinnamic acid 4-Methoxycinnamic acid

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CAS Numbers: 1/9/830 , 56265-46-4 , 830-09-1 , 9/1/830 , 943-89-5 , [830-09-1] , [943-89-5]

Other Names:

"4-Methoxycinnamic acid, 98%"

(2E)-3-(4-methoxyphenyl)acrylic acid

(2E)-3-(4-methoxyphenyl)prop-2-enoic acid

(E)-3-(4-Methoxyphenyl)-2-propenoic acid

(E)-3-(4-Methoxyphenyl)acrylate;(E)-3-(4-Methoxyphenyl)acrylic acid;3-(4-Methoxy-phenyl)-acrylate;3-(4-Methoxy-phenyl)-acrylic acid;3-(4-Methoxyphenyl)-2-Propenoate;3-(4-Methoxyphenyl)-2-Propenoic acid;4-Methoxy cinnamate;4-Methoxy cinnamic acid;4-Methoxy

(E)-3-(4-Methoxyphenyl)acrylic acid

(E)-4-Methoxycinnamic acid

(E)-4-MethoxycinnamicAcid

2-propenoic acid, 3-(4-methoxyphenyl)-

2-propenoic acid, 3-(4-methoxyphenyl)-, (2E)-

2-Propenoic acid, 3-(4-methoxyphenyl)-, sodium salt; Cinnamic acid, p-methoxy-, sodium salt; LS-54145; Sodium 3-(4-methoxyphenyl)-2-propenoate; Sodium p-methoxycinnamate

2-Propenoic acid, 3-(4-methoxyphenyl)-; 3-(4-Methoxyphenyl)-2-propenoic acid; 4-Methoxycinnamate; 4-Methoxycinnamic acid; AI3-23399; Cinnamic acid, 4-methoxy-; Cinnamic acid, p-methoxy-; EINECS 212-594-0; LS-123672; METHOXYCINNAMIC ACID, PARA; NSC 5303; p

3-(4-Methoxy-phenyl)-acrylic acid

3-(4-Methoxyphenyl)-2-propenoic acid; 3-(4-methoxyphenyl)acrylic acid; 4-Methoxycinnamic acid; p-Methoxycinnamic acid

3-(4-methoxyphenyl)acrylic acid

4-Methoxy Cinnamic Acid

4-methoxycinnamate; 4-methoxycinnamic acid; CPD-11884; p-methoxycinnamate; p-methoxycinnamic acid; trans-4-4ethoxycinnamic acid

4-Methoxycinnamic acid 98%

4-Methoxycinnamic Acid [830-09-1]

4-Methoxycinnamic acid, predominantly trans, 99%

4-Methoxycinnamic acid; bmse010212

4-METHOXYCINNAMIC ACID; [830-09-1]

Bernel hydro

METHOXYPHENYLPROPENOICACI

MFCD00004398

MFCD08282231

NSC-5303

NSC-623437

O-Methyl-p-coumaric acid

OS-1130

p-MCA

p-Methoxycinnamic acid

p-Methoxycinnamic acid, 99%, predominantly trans

p-methoxycinnamic acid,compound with 2,2'-iminodiethanol (1:1)

trans-4-Methoxycinnamic acid

trans-4-Methoxycinnamic acid, 98%

TRANS-4-METHOXYCINNAMIC ACID; [943-89-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 5.64 -49.02 0 3 -1 49 177.179 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 170-173? Alfa-Aesar
Melting_Point 171-175? Alfa-Aesar
MP 171-175o C Indofine
Melting_Point 171-175° Alfa-Aesar
Mp [°C] 173 - 175 Acros Organics
mp 173.5 - 174 MolMall (formerly Molecular Diversity Preservation International)
M.P 173.5 °C Indofine
MP 173.5 °C(lit.) Indofine
MP 190 TCI
Purity 95% Fluorochem
Purity 97% APIChem
Patent Database Links EP0893119; US2006189654 ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )