| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 9 | Yes |
Popular Name: (S)-(+)-Pantolactone (S)-(+)-Pantolactone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5405-40-3 , 599-04-2 , 79-50-5 , [5405-40-3] , [79-50-5]
(3S)-3-hydroxy-4,4-dimethyloxolan-2-one
(S)-(+)-4,5-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone
(S)-(+)-?-Hydroxy-?,?-dimethyl-?-butyrolactone
(S)-(+)-alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone
(S)-(+)-^a-Hydroxy-^b,^b-dimethyl-^y-butyrolactone
(S)-3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one
3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one
3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one (DL-Pantolactone)
3-hydroxy-4,4-dimethyloxolan-2-one
| 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) | -0.60 | 0.69 | -7.11 | 1 | 3 | 0 | 47 | 130.143 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 120 - 122 (p=15 torr) | Acros Organics |
| Boiling_Point | 120-122?/15mm | Alfa-Aesar |
| Boiling_Point | 120-122°/15mm | Alfa-Aesar |
| BP | 121 / 11 | TCI |
| BP [°C] | 246 | Acros Organics |
| Mp [°C] | 74 - 78 | Acros Organics |
| MP | 78 | TCI |
| Mp [°C] | 88 - 92 | Acros Organics |
| Melting_Point | 89-94? | Alfa-Aesar |
| Melting_Point | 89-94° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| 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 | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.