| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 8 | Yes |
Popular Name: 2-Butoxyethanol 2-Butoxyethanol
Find On: PubMed — Wikipedia — Google
CAS Number: 111-76-2
111-76-2; 2-Butoxyethanol; C19355
2-Butoxyethanol, 99%, extra pure
Ethylene glycol mono-n-butyl ether
| 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) | 1.01 | 0.61 | -4.56 | 1 | 2 | 0 | 29 | 118.176 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 70 | Acros Organics |
| Melting_Point | 79? | Alfa-Aesar |
| Melting_Point | 79° | Alfa-Aesar |
| BP [°C] | 171 | Acros Organics |
| Boiling_Point | 171-173? | Alfa-Aesar |
| Boiling_Point | 171-173° | Alfa-Aesar |
| MP | 68 - 70 | Enamine Building Blocks |
| MP | 68...70 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | 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; P307 + P311: IF exposed: Call a POISON CENTER or doctor/physician; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse c | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/38: Irritating to eyes and skin. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves.; S46: If swallowed, seek medical advice immediately and show this container or label. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.