| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 10 | Yes |
Popular Name: 1,8-Octanediol 1,8-Octanediol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3992-48-1 , 629-41-4 , [629-41-4]
| 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) | 1.61 | 0.12 | -4.68 | 2 | 2 | 0 | 40 | 146.23 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 166 / 10 | TCI |
| Boiling_Point | 171-173?/20mm | Alfa-Aesar |
| Boiling_Point | 171-173°/20mm | Alfa-Aesar |
| Melting_Point | 58-61? | Alfa-Aesar |
| Melting_Point | 58-61° | Alfa-Aesar |
| MP | 62 | TCI |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Patent Database Links | EP1214972; US2003026774; WO2008116321 | ChEBI |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
