UCSF

ZINC01687154

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 6 Yes

Popular Name: 1-Pentanol 1-Pentanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 104810-27-7 , 105091-67-6 , 71-41-0 , 94624-12-1 , 98072-19-6

Other Names:

"1-Pentanol, 99.5%"

1-Pentanol, 98+%

1-Pentanol, 99%, pure

1-Pentanol, ACS

1-Pentanol, ACS, 99+%

1-pentanol; 1-Pentol; 1-Pentyl alcohol; 2-Methyl-1-butanol; 2-Pentanol; Alcool amylique; Amyl alcohol; Amyl alcohol, n-; Amylalkohol; Amylol; Butyl carbinol; Butylcarbinol; C5 alcohol; n-Amyl alcohol; N-amylalkohol; N-butylcarbinol; n-Pentan-1-ol; N-penta

1-pentanol; 1-pentol; 1-pentyl alcohol; Amylalkohol; PENTAN-1-OL; Pentylalkohol; alcool amylique; amyl alcohol, normal; amylol; butylcarbinol; n-Amylalkohol; n-C5H11OH; n-amyl alcohol; n-butylcarbinol; n-pentan-1-ol; n-pentyl alcohol; pentanol-1; pentyl a

1-Pentanol; 1-Pentyl alcohol; AI3-01293; Alcool amylique [French]; Amyl alcohol; Amyl alcohol (natural); Amyl alcohol, normal; Amylol; BRN 1730975; Butyl carbinol; Butylcarbinol; EINECS 200-752-1; FEMA No. 2056; FEMA Number 2056; HSDB 111; LS-1604; N-Pent

1-pentanol; 71-41-0; n-pentanol; n-pentyl-alcohol; pentan-1-ol; pentanol; pentyl-alcohol

1-Pentanol; C16834

1-Pentanol;1-Pentol;1-Pentyl alcohol;Alcool amylique;Alcool amylique (french);Alcool amylique [french];Amyl alcohol;Amyl alcohol (natural);Amyl alcohol normal;Amylalkohol;Amylol;Butyl carbinol;Butylcarbinol;C5 alcohol;N-Amyl alcohol;N-Amylalkohol;N-Amylal

Amyl alcohol, mixed isomers

Chloro(pentyloxy)magnesium

MFCD00002977

MFCD00081734

MFCD00144918

n-Amyl alcohol

n-Pentyl alcohol

Niobium n-pentyloxide

Niobium n-pentyloxide, 99% (metals basis)

pentan-1-ol

Pentanol

Pentanol, mixture of isomers

Pentanol, mixture of isomers, 99% (sum of isomers)

PENTANOL-N, [1-14C]

PENTANOL-N,[1-14C]

PENTANOL; [13403-73-1]

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) 1.62 1.13 -2.44 1 1 0 20 88.15 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 78 Acros Organics
Melting_Point 79? Alfa-Aesar
Melting_Point 79° Alfa-Aesar
Boiling_Point 128-137? Alfa-Aesar
Boiling_Point 128-137° Alfa-Aesar
Boiling_Point 136-138? Alfa-Aesar
Boiling_Point 136-138° Alfa-Aesar
BP 137 TCI
BP [°C] 137 - 139 Acros Organics
UniProt Database Links ADHA_THEET; ADHN_RHOER; FDM_PSEPU ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H335: May cause respiratory irritation; H332: Harmful if inhaled; H226: Flammable liquid and vapor 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P210: Keep away from heat/spar Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R20: Harmful by inhalation.; R37/38: Irritating to respiratory system and skin. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves.; 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.