| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 12 | Yes |
Popular Name: tert-Butylhydroquinone tert-Butylhydroquinone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1948-33-0 , 7507-48-4 , [1948-33-0]
1-t-Butyl-1,4-dihydroxybenzene
1948-33-0; 2-tert-butyl-1,4-benzenediol; nsc4972
2-(tert-Butyl)benzene-1,4-diol
2-tert-Butyl-benzene-1,4-diol(TBHQ)
| 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) | 3.08 | 1.56 | -4.33 | 2 | 2 | 0 | 40 | 166.22 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 125 - 130 | Acros Organics |
| Melting_Point | 126-129? | Alfa-Aesar |
| Melting_Point | 126-129° | Alfa-Aesar |
| MP | 127 | TCI |
| MP | 127 - 129 | Enamine Building Blocks |
| MP | 127...129 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 2.75e+00 g/l | DrugBank-experimental |
| BP [°C] | 295 | Acros Organics |
| Boiling_Point | 295? | Alfa-Aesar |
| Boiling_Point | 295° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H410: Very toxic to aquatic life with long lasting effects; H315: Causes skin irritation; H319: Causes serious eye irritation; H317: May cause an aller | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P301+ P312: IF SWA | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact.; R50: Very toxic to aquatic organisms. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S61: Avoid release to the environment. Refer to special instructions / safet | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
