| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 11th, 2007 | 6 | No |
Popular Name: TBHP TBHP
Find On: PubMed — Wikipedia — Google
CAS Numbers: 540-80-7 , 75-91-2 , [540-80-7]
BUTYL-HYDROPEROXIDE; t-butyl hydroperoxide; tertiary butyl hydroperoxide
tert-Butyl hydroperoxide, 70% aq. soln.
| 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) | 1.17 | -0.1 | -3.52 | 1 | 2 | 0 | 29 | 90.122 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 2.8 | Acros Organics |
| Melting_Point | 3? | Alfa-Aesar |
| Melting_Point | 3° | Alfa-Aesar |
| BP [°C] | 37 (p=15 torr) | Acros Organics |
| Boiling_Point | 96? dec. | Alfa-Aesar |
| Boiling_Point | 96° dec. | Alfa-Aesar |
| UniProt Database Links | AHP1_YEAST; AHPC_STAA8; CATA_STAA8; CP119_SULAC; CRPE_MYCPA; GLRX1_YEAST; GLRX2_YEAST; GPX1_CHLRE; GPX1_SYNY3; GPX2_HUMAN; GRXC6_ORYSJ; GTO2_YEAST; GTO3_YEAST; HPGDS_CHICK; HPRR_MYCGE; OHR_XANAC; OHR_XANCH; TEHB_HAEI1; YFCG_ECOLI; YGHU_ECOLI; YTKD_BACSU | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H311: Toxic in contact with skin; H314: Causes severe skin burns and eye damage; H317: May cause an allergic skin reaction; H330: Fatal if inhaled; H411: Toxic to aquatic life with long lasting effects; H226: Flammable liquid a | Acros Organics |
| Hazard | O: Oxidizing | Acros Organics |
| Hazard | O: Oxidizing; T: Toxic; N: Dangerous for the environment | 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; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P30 | Acros Organics |
| R phrase | R7: May cause fire. | Acros Organics |
| R phrase | R7: May cause fire.; R10: Flammable.; R21/22: Harmful in contact with skin and if swallowed.; R23: Toxic by inhalation.; R34: Causes burns.; R43: May cause sensitisation by skin contact.; R51/53: Toxic to aquatic organisms, may cause long-term adverse eff | Acros Organics |
| S phrase | S3/7: Keep container tightly closed in a cool place. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.