In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 5 | Yes |
Popular Name: 2-Methyl-1-propanol 2-Methyl-1-propanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 681-98-1 , 7425-80-1 , 78-83-1 , [13259-29-5] , [78-83-1]
"2-Methyl-1-propanol, 99% [extra pure]"
1-Hydroxymethylpropane; 2-Methyl-1-propanol; 78-83-1; C14710; Isobutyl alcohol
2-Methyl-1-propanol, 99+%, ACS reagent
2-Methyl-1-propanol, 99+%, Extra Dry, AcroSeal®
2-Methyl-1-propanol, 99+%, extra pure
2-Methyl-1-propanol, 99+%, spectrophotometric grade
Isobutanol, Spectrophotometric Grade
Isobutanol, Spectrophotometric Grade, 99+%
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) | 0.80 | 0.26 | -2.35 | 1 | 1 | 0 | 20 | 74.123 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Mp [°C] | 108 | Acros Organics |
Melting_Point | 108? | Alfa-Aesar |
Melting_Point | 108° | Alfa-Aesar |
Boiling_Point | 107-108? | Alfa-Aesar |
Boiling_Point | 107-108° | Alfa-Aesar |
BP [°C] | 108 | Acros Organics |
Boiling_Point | 296? | Alfa-Aesar |
Boiling_Point | 296° | Alfa-Aesar |
UniProt Database Links | AB1D_ARATH; ADHN_RHOER; DEG15_ARATH; HIBC1_ARATH; IBR5_ARATH; PEX7_ARATH; PXM16_ARATH; U74E2_ARATH | ChEBI |
PUBCHEM_PATENT_ID | EP0917565A1; WO1997040144A1 | IBM Patent Data |
Patent Database Links | EP1028116; EP1088820; EP1388539; EP1418174; EP1426376; EP1505072; EP1580193; EP1609826; EP1619186; EP1676488; EP1690858; EP1741711; EP1741712; EP1777217; EP1816131; EP1818336; EP1842848; EP1847529; EP1852415; EP1873152; EP1927589; EP1938864; EP1950215; EP | ChEBI |
H phrase | H318: Causes serious eye damage | Acros Organics |
H phrase | H318: Causes serious eye damage; H335: May cause respiratory irritation; H336: May cause drowsiness or dizziness; H315: Causes skin irritation; H226: Flammable liquid and vapor | Acros Organics |
P phrase | P280: Wear eye protection/face protection | Acros Organics |
P phrase | P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P30 | Acros Organics |
R phrase | R10: Flammable. | Acros Organics |
R phrase | R10: Flammable.; R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage to eyes.; R67: Vapours may cause drowsiness and dizziness. | Acros Organics |
S phrase | S7/9: Keep container tightly closed and in a well-ventilated place. | Acros Organics |
S phrase | S7/9: Keep container tightly closed and in a well-ventilated place.; S13: Keep away from food, drink and animal feedingstuffs.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable glove | Acros Organics |
PUBCHEM_PATENT_ID | US5922871; WO1998054140A1 | IBM Patent Data |
Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.