UCSF

ZINC01530354

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 5 Yes

Popular Name: 1-Butanol 1-Butanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1071-76-7 , 2008-41-5 , 2155-74-0 , 2372-45-4 , 25063-27-8 , 3085-30-1 , 4712-38-3 , 51030-47-8 , 5593-70-4 , 70799-68-7 , 71-36-3 , 78-92-2 , [2372-45-4]

Other Names:

"1-Butanol, 99.5%"

1-Butanol titanium(4+) salt; 1-Butanol, titanium(4+) salt; B 1 (titanate); Butyl alcohol, titanium(4+) salt; Butyl orthotitanate; Butyl titanate; Butyl titanate monomer; Butyl titanate(IV); Butyl titanate(IV), (BuO)4Ti; EINECS 227-006-8; HSDB 839; LS-1538

1-Butanol [for HPLC Solvent]

1-Butanol [for Spectrophotometry]

1-Butanol, 99%

1-Butanol, 99%, extra pure

1-Butanol, 99+%, Extra Dry, AcroSeal®

1-Butanol, 99+%, for spectroscopy

1-Butanol, 99.5%, ACS reagent

1-Butanol, 99.5%, for analysis

1-Butanol, ACS

1-Butanol, ACS, 99.4+%

1-Butanol, anhydrous, 99.9%, packaged under Argon in resealable ChemSeal^t bottles

1-Butanol, for HPLC

1-Butanol, HPLC Grade

1-Butanol, HPLC Grade, 99%

1-Butanol, sodium salt; 1-Butanol, sodium salt (1:1); Butanol, sodium salt; Butyl alcohol, sodium salt; EINECS 219-144-2; HSDB 5872; LS-195329; Sodium 1-butoxide; Sodium butanolate; Sodium butoxide; Sodium butylate; Sodium n-butylate

1-Butanol, Ultrapure, Spectrophotometric Grade

1-Butanol, Ultrapure, Spectrophotometric Grade, 99.0+%

1-Butanol; 1-Butyl alcohol; 1-Hydroxybutane; 3-Methyl-1-propanol; Alcool butylique; BuOH; Butan-1-ol; Butanol; Butanol-1; Butanolen; Butanolo; Butyl alcohol; Butyl hydroxide; Butylowy alkohol; Butyric alcohol; Hemostyp; Methylolpropane; n-Butan-1-ol; n-Bu

1-Butanol; 1-Butyl alcohol; 1-Hydroxybutane; AI3-00405; Alcool butylique [French]; BUTYL ALCOHOL; Butanol; Butanol [French]; Butanol, 1-; Butanolen [Dutch]; Butanolo [Italian]; Butyl alcohol (natural); Butyl hydroxide; Butylowy alkohol [Polish]; Butyric a

1-Butanol; 1-butyl alcohol; 1-hydroxybutane; BUTANOL; BuOH; Butyl alcohol; Butyl alcohol (NF); Butyl hydroxide; Butyric alcohol; Butyric or normal primary butyl alcohol; Hemostyp; Methylolpropane; Normal primary butyl alcohol; Propylcarbinol; Propylmethan

1-butanol; 1-hydroxybutane; 71-36-3; butanol; n-butanol; n-butyl alcohol

1-Butanol; 71-36-3; Butyl alcohol (NF); D03200

1-Butanol; C06142; n-Butanol

1-Butanol;1-Butyl alcohol;Butanol;Butyl alcohol;Butyl hydroxide;Hemostyp;Methylolpropane;N-Butanol;N-Butyl alcohol;Propylcarbinol

1-butyl alcohol; 1-hydroxybutane; BuOH; butan-1-ol; n-Butylalkohol; n-butan-1-ol; n-butyl alcohol; propyl carbinol

Aluminum n-butoxide

Aluminum n-butoxide, 90+%

Aluminum tri-n-butoxide

Antimony(III) n-butoxide

Antimony(III) n-butoxide, 99+%

Antimony(III) n-butoxide, 99.9% (metals basis), Sb(III) 36.0%

ANTIMONY(III)BUTOXIDE

Butan-1-Ol

Butanol

BUTANOL-D1

Butoxypolypropoxypolyethoxyethanol iodine complex; Butoxypolypropoxypolyethoxyethanol-iodine complex; Caswell No. 123; EPA Pesticide Chemical Code 046901; LS-101083; Methyloxirane polymer with oxirane monobutyl ether compd. with iodine; Oxirane, methyl-,

Butyl Alcohol (NF)

Butylate

CHEBI:39632; CHEBI:22936; CHEBI:612

Germanium n-butoxide

Germanium n-butoxide, 97+%

MFCD00002964

MFCD00009433

MFCD00015237

MFCD00015238

MFCD00015347

MFCD00035962

MFCD00048765

MFCD00070567

MFCD00144916

MFCD02682834

n-Butanol

N-Butanol, ACS, 99.4+%

n-Butanol;n-Butyl alcohol

n-Butyl alcohol

Niobium n-butoxide

Niobium n-butoxide, 99% (metals basis)

Niobium potassium n-butoxide, 5% w/v in n-butanol

Niobium potassium n-butoxide, 5% w/v in n-butanol, 99% (metals basis)

sec-Butanol

Sodium butanolate

Sodium n-butoxide

SodiumButanolate

Tetra-n-butoxygermane

Tetra-n-butyltitanate, TNBT

Tetrabutyl Orthotitanate

Tetrabutyl Orthotitanate Tetramer

Titanium(IV) n-butoxide

Titanium(IV) n-butoxide, 99+%

Zirconium n-butoxide

Zirconium n-butoxide, 80% w/w in 1-butanol

Zirconium(IV) Butoxide (ca. 80% in 1-Butanol)

Zirconium(IV) butoxide solution

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) 1.12 0.35 -2.45 1 1 0 20 74.123 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 55? Alfa-Aesar
Melting_Point 55° Alfa-Aesar
Mp [°C] 89 Acros Organics
Melting_Point 90 to -89? Alfa-Aesar
Melting_Point 90 to -89° Alfa-Aesar
Melting_Point 90? Alfa-Aesar
Melting_Point 90° Alfa-Aesar
ALOGPS_SOLUBILITY 1.58e+02 g/l DrugBank-experimental
Melting_Point 102? Alfa-Aesar
Melting_Point 102° Alfa-Aesar
BP 116-118° Oakwood Chemical
Boiling_Point 117-118? Alfa-Aesar
Boiling_Point 117-118° Alfa-Aesar
BP [°C] 117.6 Acros Organics
BP 118 TCI
Boiling_Point 133-135?/0.4mm Alfa-Aesar
Boiling_Point 133-135°/0.4mm Alfa-Aesar
Boiling_Point 143?/8mm Alfa-Aesar
Boiling_Point 143°/8mm Alfa-Aesar
Boiling_Point 197?/0.15mm Alfa-Aesar
Boiling_Point 197°/0.15mm Alfa-Aesar
Boiling_Point 310-314? Alfa-Aesar
Boiling_Point 310-314° Alfa-Aesar
Purity 99% Fluorochem
UniProt Database Links ADHN_AMYME; ADHN_RHOER; FDM_PSEPU; PLDA_DICDI; PLDB_DICDI; PLDC_DICDI; PLDY_DICDI; PLDZ_DICDI; QGDA_PSEPU; QHED_PSEPU ChEBI
Patent Database Links EP0775703; EP0815857; EP0853078; EP0856515; EP0905130; EP0962438; EP1074548; EP1132373; EP1147764; EP1162202; EP1166643; EP1191023; EP1209148; EP1213280; EP1318200; EP1321462; EP1352687; EP1359149; EP1394144; EP1550659; EP1647268; EP1666476; EP1726591; EP ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H302: Harmful if swallowed; H336: May cause drowsiness or dizziness; H318: Causes serious eye damage; H335: May cause respiratory irritation; H226: Flammable liquid and vapor Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/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; P301+ P312: IF SWALLOWED: Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R22: Harmful if swallowed.; 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
SOLUBILITY soluble Indofine
PUBCHEM_PATENT_ID US5059341; US5063160; US5168060; US5227300; US5246848 IBM Patent Data
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.