| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | Yes |
Popular Name: Vanillylmandelic acid Vanillylmandelic acid
2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
3-Methoxy-4-hydroxymandelate; 55-10-7; C05584; Vanillylmandelic acid
3-methoxy-4-hydroxymandelic acid; Vanilmandelic acid; hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid
4-Hydroxy-3-methoxy-DL-mandelic acid
4-Hydroxy-3-methoxy-DL-mandelic acid, 98%
4-Hydroxy-3-methoxymandelic acid
4-Hydroxy-3-methoxymandelic acid, 99%
DL-4-HYDROXY-3-METHOXYMANDELIC ACID
| 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) | -0.29 | 0.66 | -44.59 | 2 | 5 | -1 | 90 | 197.166 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 131 - 134 | Acros Organics |
| MP | 133 | TCI |
| Melting_Point | 133-134? dec. | Alfa-Aesar |
| Melting_Point | 133-134° dec. | Alfa-Aesar |
| mechanism | Catecholamine metabolite | IBScreen Bioactives |
| PUBCHEM_PATENT_ID | EP0005779A2; EP0047693A1; EP0273202A2; EP0273202B1; EP0381696A1; EP0381696B1; EP0521906A1; EP0578550B1; EP0599819A2; EP0599819B1; EP0770399A2; EP1016401A1; EP1016402A2; EP1023888A2; US3964871; US4042329; US4059407; US4218380; US4275150; US4384137; US44018 | IBM Patent Data |
| biological_source | Found in urine | ZereneX Building Blocks |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| 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 |
| biological_use | Used to diagnose an adrenal gland tumor called pheochromocytoma | IBScreen Bioactives |
| Hazard | XI: Irritant | Acros Organics |
