| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 12 | No |
Popular Name: 4-Methylcinnamic acid 4-Methylcinnamic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1866-39-3 , 940-61-4 , [1866-39-3]
"4-Methylcinnamic acid, 99% [predominantly trans]"
(2E)-3-(4-methylphenyl)acrylic acid
(2E)-3-(4-methylphenyl)prop-2-enoic acid
(E)-3-(4-Methylphenyl)-2-propenoic acid
(e)-3-(4-methylphenyl)-2-propenoicacid
2-propenoic acid, 3-(4-methylphenyl)-
2-propenoic acid, 3-(4-methylphenyl)-, (2E)-
3-(4-methylphenyl)-2-propenoic acid
3-(4-methylphenyl)acrylic acid
4-Methylcinnamic Acid [1866-39-3]
4-Methylcinnamic acid, 99%, predominantly trans
4-Methylcinnamic acid, predominantly trans
4-Methylcinnamic acid, predominantly trans, 99%
| 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) | 2.36 | 1.42 | -50.06 | 0 | 2 | -1 | 40 | 161.18 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 196 - 198 | Enamine Building Blocks |
| MP | 196-198 °C(lit.) | Indofine |
| MP | 196-198o C | Indofine |
| MP | 196-198° | Oakwood Chemical |
| Melting_Point | 196-200? | Alfa-Aesar |
| Melting_Point | 196-200° | Alfa-Aesar |
| MP | 196...198 | Enamine Building Blocks |
| MP | 197 | TCI |
| Mp [°C] | 198 - 201 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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 |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
