UCSF

ZINC02040993

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 6 Yes

Popular Name: 2-methylbutan-1-ol 2-methylbutan-1-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 137-32-6 , 1565-80-6 , 34713-94-5 , [1565-80-6]

Other Names:

"2-Methyl-1-butanol, 98%"

(+/-)-2-Methyl-1-butanol

(+/-)-2-Methyl-1-butanol, 98%

(+/-)-2-Methyl-1-butanol;(1)-2-Methylbutan-1-ol;(S)-(-)-2-Methyl-1-butanol;(S)-2-Methyl-1-butanol;(S)-2-Methylbutan-1-ol;2-Methyl butanol-1;2-Methyl-(.+/-.)-1-Butanol;2-Methyl-(2S)-1-Butanol;2-Methyl-(S)-1-Butanol;2-Methyl-1-Butanol;2-Methyl-N-butanol;2-M

(1)-2-Methylbutan-1-ol; 1-Butanol, 2-methyl-; 2-Methyl butanol-1; 2-Methyl-1-butanol; 2-Methyl-n-butanol; 2-Methylbutan-1-ol; 2-Methylbutanol; 2-Methylbutyl alcohol; AI3-24190; Active amyl alcohol; Active primary amyl alcohol; BRN 1718810; EINECS 205-289-

(2S)-2-methyl-1-butanol; (S)-(-)-2-methyl-1-butanol; (S)-2-methyl-1-butanol

(±)-2-Methyl-1-butanol

(S)-(-)-2-Methyl-1-butanol

(S)-2-Methyl-1-butanol

(S)-2-methylbutan-1-ol

-2-Methyl-1-butanol

1-Butanol, 2-methyl-; 2-Methyl butanol-1; 2-Methyl-1-butanol; 2-methyl-butan-1-ol; 2-Methyl-n-butanol; 2-Methylbutanol; 2-Methylbutyl alcohol; 3-methyl iso-butanol; Active Amyl alcohol; Active primary amyl alcohol; Butanol, 2-methyl-; dl-2-Methyl-1-butano

2-methyl butanol-1; 2-methyl-1-butanol; 2-methyl-n-butanol; 2-methylbutanol; 2-methylbutyl alcohol; CH3CH2CH(CH3)CH2OH; active amyl alcohol; active primary amyl alcohol; methyl-2-butan-1-ol; primary active amyl alcohol; sec-butylcarbinol

2-Methyl-1-butanol

2-methyl-n-butanol; 2-methylbutanol; 2-methylbutyl alcohol; CPD-7033; active amyl alcohol; sec-butylcarbinol

DL-2-Methyl-1-butanol

DL-2-Methyl-1-butanol (Synthetic)

DL-2-Methyl-1-butanol, 98%

L-2-Methyl-1-butanol

MFCD00004743

MFCD00064299

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) 1.31 0.92 -2.34 1 1 0 20 88.15 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 70 Acros Organics
MP 72 - -70 Enamine Building Blocks
MP 72...-70 Enamine Building Blocks
BP 128 TCI
Boiling_Point 129-131? Alfa-Aesar
Boiling_Point 129-131° Alfa-Aesar
BP [°C] 130 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Melting_Point <-70? Alfa-Aesar
Melting_Point <-70° Alfa-Aesar
Patent Database Links EP1647268; EP1873152; US2002043207 ChEBI
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H332: Harmful if inhaled; H226: Flammable liquid and vapor; EUH066: Repeated exposure may cause skin dryness or cracking 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; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking 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
S phrase S46: If swallowed, seek medical advice immediately and show this container or label. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

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