In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 11 | No |
Popular Name: 3-hydroxy-4-methoxybenzaldehyde 3-hydroxy-4-methoxybenzaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 621-59-0 , 74495-73-1 , [621-59-0]
"3-Hydroxy-4-methoxybenzaldehyde, 99%"
3-​Hydroxy-​4-​methoxy-​d3 benzaldehyde
3-​Hydroxy-​4-​methoxy-​d3 benzaldehyde
3-Hydroxy-4-methoxybenzaldehyde, 98%
3-Hydroxy-4-methoxybenzaldehyde; 3-Hydroxy-p-anisaldehyde; CPD-8489; Isovanilline; isovanillin
4-08-00-01764 (Beilstein Handbook Reference)
4-Methoxy-3-hydroxybenzaldehyde
Benzaldehyde, 3-hydroxy-4-methoxy-
InChI=1/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H
Isovanillin [621-59-0]; (3-Hydroxy-4-methoxybenzaldehyde)
Oxy-3 methoxy-4 benzaldehyde [French]
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) | 1.07 | 1.38 | -8.46 | 1 | 3 | 0 | 47 | 152.149 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 112 - 116 | Acros Organics |
Melting_Point | 112-116? | Alfa-Aesar |
Melting_Point | 112-116° | Alfa-Aesar |
MP | 113 - 115 | Enamine Building Blocks |
MP | 113-115° | Oakwood Chemical |
MP | 113-116 °C | Indofine |
MP | 113...115 | Enamine Building Blocks |
MP | 114 | TCI |
BP [°C] | 179 (p=15 torr) | Acros Organics |
Boiling_Point | 179?/15mm | Alfa-Aesar |
Boiling_Point | 179°/15mm | Alfa-Aesar |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95+% | Matrix Scientific |
Purity | 98% | Fluorochem |
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 |
Warnings | IRRITANT | Matrix Scientific |
Warnings | Irritant/Light Sensitive/Air Sensitive | 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 | S24/25: Avoid contact with skin and eyes. | Acros Organics |
Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.