UCSF

ZINC01687155

Draw Identity 99% 90% 80% 70%

Substance Information

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]

Other Names:

"2-Methyl-1-propanol, 99% [extra pure]"

1-Hydroxymethylpropane; 1-Propanol, 2-methyl-; 2-Methyl propanol; 2-Methyl-1-propanol; 2-methyl-1-propanyl alcohol; 2-Methylpropan-1-ol; 2-methylpropanoI; 2-Methylpropanol; 2-Methylpropanol-1; 2-Methylpropyl alcohol; Alcohol; Alcool isobutylique; Butanol-

1-Hydroxymethylpropane; 1-Propanol, 2-methyl-; 2-Methyl propanol; 2-Methyl-1-propanol; 2-Methylpropyl alcohol; 2-methylpropan-1-ol; AI3-01777; Alcool isobutylique [French]; BRN 1730878; CCRIS 2300; EINECS 201-148-0; FEMA No. 2179; FEMA Number 2179; Fermen

1-hydroxymethylpropane; 2-methyl-1-propanol; 2-methylpropanol; IBA; Isobutylalkohol; i-Butanol; i-Butyl alcohol; iso-C4H9OH; iso-butyl alcohol; isobutanol; isobutyl alcohol; isopropylcarbinol

1-Hydroxymethylpropane; 2-Methyl-1-propanol; 78-83-1; C14710; Isobutyl alcohol

1-Hydroxymethylpropane;2-Methyl propanol;2-Methyl-1-propanol;2-Methyl-1-propanyl alcohol;2-Methylpropan-1-ol;2-MethylpropanoI;2-Methylpropanol;2-Methylpropanol-1;2-Methylpropyl alcohol;Alcool isobutylique;I-Butanol;I-Butyl alcohol;IBA;Iso-butyl alcohol;Is

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

2-Methyl-1-propanol, for HPLC

2-Methylpropan-1-ol

butanol; isobutanol

Isobutanol

Isobutanol, 99%

Isobutanol, ACS

Isobutanol, ACS, 99+%

Isobutanol, HPLC Grade

Isobutanol, HPLC Grade, 99+%

Isobutanol, Spectrophotometric Grade

Isobutanol, Spectrophotometric Grade, 99+%

Isobutyl alcohol

IsobutylAlcohol

MFCD00004740

MFCD00015045

Sodium 2-methylpropanolate

Tetraisobutyl Orthotitanate (contains Isopropoxide)

tetraisobutylorthotitanate

Titanium(IV) isobutoxide

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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 ↓

Vendor Notes

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

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.