UCSF

ZINC01648303

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 2-Ethylhexanoic acid 2-Ethylhexanoic acid

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CAS Numbers: 1/4/2457 12:00:00 AM , 10/4/2781 12:00:00 AM , 103470-68-4 , 114012-65-6 , 125804-07-1 , 13434-24-7 , 136-51-6 , 136-52-7 , 136-53-8 , 149-11-1 , 149-57-5 , 15590-62-2 , 15602-15-0 , 19766-89-3 , 2/5/2457 12:00:00 AM , 20845-92-5 , 210578-56-6 , 22221-10-9 , 2233-42-3 , 22464-99-9 , 2457-01-4 , 2457-02-5 , 2781-10-4 , 288374-32-3 , 29355-14-4 , 301-08-6 , 301-10-0 , 3056-17-5 , 30745-55-2 , 3164-85-0 , 331686-36-3 , 331720-17-3 , 3444-17-5 , 3645-34-9 , 4995-91-9 , 56797-01-4 , 67816-09-5 , 67874-71-9 , 72377-05-0 , 7321-53-1 , 94-28-0 , [136-51-6] , [149-57-5] , [3002-63-9] , [3056-17-5]

Other Names:

"2-Ethylhexanoic acid, 99%"

(+/-)-2-ETHYLHEXANOIC ACID;2-Butylbutanoic acid;2-Ethyl hexanoic acid;2-Ethyl-1-hexanoic acid;2-Ethyl-hexoic acid;2-Ethyl-Hexonic acid;2-Ethylcaproic acid;2-Ethylcapronic acid;2-Ethylhexoic acid;3-Heptanecarboxylic acid;alpha-Ethylcaproic acid;alpha-Ethyl

(S)-2-ETHYLHEXANOIC ACID

1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine

2-Butylbutanoic acid; 2-Ethylcaproic acid; 2-Ethylhexanoic acid; 2-Ethylhexansaeure; 2-Ethylhexoic acid; 3-Heptanecarboxylic acid; AI3-01371; BRN 1750468; Butylethylacetic acid; CCRIS 3348; EINECS 205-743-6; Ethyl hexanoic acid; Ethyl hexanoic acid, 2-; E

2-ethyl hexanoic acid

2-ethyl-hexanoic acid

2-ethyl-hexoic acid

2-Ethylcaproic acid sodium salt; 2-Ethylhexanoic acid sodium salt; EINECS 243-283-8; Hexanoic acid, 2-ethyl-, sodium salt; LS-75302; Sodium 2-ethylhexanoate; Sodium-2-ethylcaproate

2-Ethylhexanoic acid bismuth salt

2-Ethylhexanoic acid calcium salt

2-Ethylhexanoic acid chromium(III) salt

2-Ethylhexanoic acid lanthanum(III) salt

2-Ethylhexanoic acid lead(II) salt

2-Ethylhexanoic acid lithium salt

2-Ethylhexanoic acid sodium salt

2-Ethylhexanoic acid strontium salt

2-Ethylhexanoic acid tin(II) salt

2-Ethylhexanoic acid yttrium(III) salt

2-Ethylhexanoic acid zinc salt

2-Ethylhexanoic acid, 99%

2-Ethylhexanoic acid, copper salt

2-Ethylhexanoic acid, potassium salt; EINECS 221-625-7; Hexanoic acid, 2-ethyl-, potassium salt; LS-195346; Potassium 2-ethylhexanoate

2-Ethylhexanoicacid

2_,3_-Anhydrothymidine

3-(2-Methoxy-phenoxy)benzoic acid

alpha-ethyl caproic acid

Aluminum 2-ethylhexanoate

Barium 2-ethylhexanoate in 2-ethylhexanoic acid, Ba ca 17.5%

Barium 2-ethylhexanoate, 20% w/w in 2-ethylhexanoic acid

Barium 2-ethylhexanoate, 99.8% (metals basis), typically 75% in 2-ethylhexanoic acid

Barium 2-ethylhexanoate, 99.8% (metals basis), typically 75% w/w in 2-ethylhexanoic acid

Barium titanium(IV) 2-ethylhexano-isopropoxide

Barium titanium(IV) 2-ethylhexanoate pentaisopropoxide, 99.5+% (metals basis), produces 5% BaTiO3, in isopropanol

BARIUM2-ETHYLHEXANOATE

Bis(2-ethylhexanoato)hydroxyaluminum

Bismuth 2-ethylhexano-isopropoxide

Bismuth 2-ethylhexanoate

Bismuth 2-ethylhexanoate monoisopropoxide, 99.9% (metals basis), 5% w/v in isopropanol

Bismuth 2-ethylhexanoate, 99.99+%, 70% w/v in xylene

Bismuth 2-ethylhexanoate, typically 92%, in 2-ethylhexanoic acid

Calcium 2-ethylhexanoate

Calcium 2-ethylhexanoate, 98%

Calcium 2-ethylhexanoate, Superconductor Grade, in 2-ethylhexanoic acid (3-8% Ca)

Calcium 2-ethylhexanoate; Calcium bis(2-ethylhexanoate); EINECS 205-249-0; Hexanoic acid, 2-ethyl-, calcium salt; LS-178940

Cerium(III) 2-ethylhexanoate, 49% in 2-ethylhexanoic acid, Ce 12%

CERIUM(III)2-ETHYLHEXANOATE

Chromium(III) 2-ethylhexanoate, 50% in 2-ethylhexanoic acid

Cobalt(II) 2-ethylhexanoate

COPPER 2-ETHYLHEXANOATE

Copper(II) 2-ethylhexanoate

Di-n-butyltin bis(2-ethylhexanoate)

Iron(II) 2-ethylhexano-isopropoxide

Iron(II) 2-ethylhexanoate monoisopropoxide, 5% w/v in hexane

Iron(III) 2-ethylhexano-isopropoxide

Iron(III) 2-ethylhexanoate diisopropoxide, 10% w/v in isopropanol

Iron(III) 2-ethylhexanoate, nominally 50% in mineral spirits, Fe 6%

Iron(III)-2-ethylhexanoate

Lanthanum(III) 2-ethylhexanoate, 10% w/v in hexane

Lead zirconium 2-ethylhexano-isopropoxide

Lead(II) 2-ethylhexanoate

Lead(II) titanium(IV) 2-ethylhexanoate tetraisopropoxide, 99% (metals basis), 50% w/v in isopropanol

Lead(II) zirconium(IV) 2-ethylhexanoate tetraisopropoxide, 99% (metals basis), 10% w/v in hexane

Leadbis(2-ethylhexanoate)

Lithium 2-ethylhexanoate

Magnesium 2-ethylhexanoate

Manganese(II) 2-ethylhexanoate, 40% w/w in mineral spirits, 6% Mn

Manganesebis(2-ethylhexanoate)

MFCD00002675

MFCD00002676

MFCD00014001

MFCD00014003

MFCD00014004

MFCD00014005

MFCD00014006

MFCD00014007

MFCD00015261

MFCD00015695

MFCD00041940

MFCD00043803

MFCD00045896

MFCD00053316

MFCD00058696

MFCD00058698

MFCD00058702

MFCD00064239

MFCD00070417

MFCD00070438

MFCD00070441

MFCD00070466

MFCD00072285

MFCD00072684

MFCD00171336

MFCD00171337

MFCD00210603

MFCD00210604

MFCD00792298

MFCD00798540

MFCD00798541

MFCD00798555

MFCD00870520

MFCD01310249

MFCD01863473

N/A

Nickel(II) 2-ethylhexano-isopropoxide

Nickel(II) 2-ethylhexanoate monoisopropoxide, 99+% (m.b.), 5% w/v in isprpnl, pkgd under Ar in rslble ChemSeal bottles

Nickel(II) 2-ethylhexanoate monoisopropoxide, 99+% (metals basis), 5% w/v in isopropanol

Nickel(II) octanoate, in mineral spirits (8% Ni)

Octanoic acid nickel(II) salt

Potassium 2-ethyl hexanoate

Potassium 2-ethylhexanoate

Potassium 2-ethylhexanoate hydrate

Potassium 2-ethylhexanoate hydrate, 95%

Potassium 2-ethylhexanoate, 99.9% (metals basis), 75% w/w soln.

Rhodium(III) 2-ethylhexanoate

SODIUM 2-ETHYLHEXANOATE

Sodium 2-ethylhexanoate, 97%

Stannous octoate

Stavudine

Strontium 2-ethylhexanoate, 40% in 2-ethylhexanoic acid (8-12% Sr)

Thallium(I) 2-ethylhexanoate

Thallium(I) 2-ethylhexanoate, 99.8% (metals basis)

Thallium(I)2-ethylhexanoate

Tin(II) 2-ethylhexanoate

Tin(II) 2-ethylhexanoate, 96%

Tin(II) 2-ethylhexanoate, tech.

Tin(IV) 2-ethylhexano-isopropoxide

Tin(IV) 2-ethylhexanoate diisopropoxide

Tin(IV) 2-ethylhexanoate diisopropoxide, 98% (metals basis)

Titanium(IV)2-Ethylhexanoate

Tri(ethylene glycol) bis(2-ethylhexanoate)

Tri(ethylene glycol) bis(2-ethylhexanoate), 90+%

Tri(ethylene glycol) bis(2-ethylhexanoate), 99%

Yttrium(III) 2-ethylhexanoate

Yttrium(III) 2-ethylhexanoate, 10% w/v in n-hexane

Yttrium(III) 2-ethylhexanoate, 99.8% (metals basis)

Yttrium(III)2-ethylhexanoate

Zinc 2-ethylhexanoate, ca 80% in mineral spirits (17-19% Zn)

Zinc 2-ethylhexanoate, Zn 22%, cont. 1% diethylene glycol monomethyl ether

Zirconium(IV) 2-ethylhexanoate

Zirconium(IV) 2-ethylhexanoate, 97%

Zirconium(IV) oxide 2-ethylhexanoate, in mineral spirits (^=6% Zr)

Zirconyl 2-ethylhexanoate

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) 2.75 6.5 -46.68 0 2 -1 40 143.206 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 50? Alfa-Aesar
Melting_Point 50° Alfa-Aesar
Mp [°C] 59 Acros Organics
Melting_Point 59? Alfa-Aesar
Melting_Point 59° Alfa-Aesar
Boiling_Point 220?/2mm Alfa-Aesar
Boiling_Point 220°/2mm Alfa-Aesar
Boiling_Point 226-229? Alfa-Aesar
Boiling_Point 226-229° Alfa-Aesar
BP [°C] 228 Acros Organics
Melting_Point 252? dec. Alfa-Aesar
Melting_Point 252° dec. Alfa-Aesar
Boiling_Point 344? Alfa-Aesar
Boiling_Point 344° Alfa-Aesar
Melting_Point 57-59? Alfa-Aesar
Melting_Point 57-59° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar
H phrase H361d: Suspected of damaging the unborn child Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R63: Possible risk of harm to the unborn child. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
PUBCHEM_PATENT_ID US4113939; US5922799 IBM Patent Data
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S22AK-1-E Solute Carrier Family 22 Member 20 (cluster #1 Of 2), Eukaryotic Eukaryotes 6607 0.73 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
S22AK_MOUSE Q80UJ1 Solute Carrier Family 22 Member 20, Mouse 6600 0.73 Binding ≤ 10μM

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