| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 6 | Yes |
Popular Name: 3-Methyl-1-butanol 3-Methyl-1-butanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123-51-3 , 94624-12-1
123-51-3; 3-Methylbutanol; C07328; Isoamyl alcohol; Isopentyl alcohol
3-Methyl-1-butanol, 99%, anhydrous, AcroSeal®
3-Methyl-1-butanol, 99%, for biochemistry, AcroSeal®
3-Methyl-1-butanol, ACS reagent
3-Methyl-1-butanol, ACS, 98.5+%
3-Methyl-1-butanol, for analysis
3-Methyl-1-butanol, mixture of isomers
3-Methyl-1-butanol, mixture of isomers, 99%
3-methylbutanol; CPD-7032; isoamyl alcohol; isopentanol
CHEBI:43359; CHEBI:1597; CHEBI:11855; CHEBI:20125
Chloroform/isoamyl alcohol 24:1(v/v), for molecular biology, DNAse, RNAse and Protease free
Chloroform/isoamyl alcohol 24:1, for molecular biology, DNAse, RNAse and Protease free
| 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) | 1.33 | 0.86 | -2.37 | 1 | 1 | 0 | 20 | 88.15 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 117 | Acros Organics |
| Melting_Point | 117? | Alfa-Aesar |
| Melting_Point | 117° | Alfa-Aesar |
| BP [°C] | 130 | Acros Organics |
| Boiling_Point | 130-132? | Alfa-Aesar |
| Boiling_Point | 130-132° | Alfa-Aesar |
| BP | 132 | TCI |
| ALOGPS_SOLUBILITY | 3.80e+01 g/l | DrugBank-experimental |
| UniProt Database Links | ADHN_RHOER; EST5A_FELCA; FRZCD_MYXXA; GPA17_CAEBR; GPA17_CAEEL; GRE2_YEAST; ODR7_CAEEL | ChEBI |
| Patent Database Links | EP1655285; EP1820798; US2004063980; US2005170475; US2005272675; US2006004027; US2007167530; US2007203195; US2007219141; US2008014254 | ChEBI |
| H phrase | H226: Flammable liquid and vapor; H332: Harmful if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| H phrase | H302: Harmful if swallowed; H331: Toxic if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H373: May cause damage to organs through prolonged or repeated exposure if inhaled | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P312: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P260: Do not breathe dust/fume/gas/mist/vapors/spray; P281: Use personal protective equipment as required; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R20: Harmful by inhalation.; R37: Irritating to respiratory system.; R66: Repeated exposure may cause skin dryness or cracking. | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed.; R36/38: Irritating to eyes and skin.; R40: Limited evidence of a carcinogenic effect.; R48/20/22: Harmful : danger of serious damage to health by prolonged exposure through inhalation and if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| S phrase | S2: Keep out of the reach of children. | Acros Organics |
| S phrase | S2: Keep out of the reach of children.; S46: If swallowed, seek medical advice immediately and show this container or label. | Acros Organics |
| PUBCHEM_PATENT_ID | WO1999028296A1 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.