| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 10 | Yes |
Popular Name: 2-Ethylhexanoic acid 2-Ethylhexanoic acid
Find On: PubMed — Wikipedia — Google
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 , 56006-48-5 , 56797-01-4 , 67816-09-5 , 67874-71-9 , 7321-53-1 , 94-28-0 , [136-51-6] , [149-57-5] , [3002-63-9] , [3056-17-5]
(R)-2-Ethylhexanoic acid sodium salt; Hexanoic acid, 2-ethyl-, sodium salt, (R)-; LS-75303
1-(2,3-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)thymine
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, copper salt
3-(2-Methoxy-phenoxy)benzoic acid
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
Bis(2-ethylhexanoato)hydroxyaluminum
Bismuth 2-ethylhexano-isopropoxide
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, Superconductor Grade, in 2-ethylhexanoic acid (3-8% Ca)
Cerium(III) 2-ethylhexanoate, 49% in 2-ethylhexanoic acid, Ce 12%
Chromium(III) 2-ethylhexanoate, 50% in 2-ethylhexanoic acid
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%
Lanthanum(III) 2-ethylhexanoate, 10% w/v in hexane
Lead zirconium 2-ethylhexano-isopropoxide
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
Manganese(II) 2-ethylhexanoate, 40% w/w in mineral spirits, 6% Mn
Manganesebis(2-ethylhexanoate)
Nickel(II) 2-ethylhexano-isopropoxide
Nickel(II) 2-ethylhexanoate monoisopropoxide, 99+% (metals basis), 5% w/v in isopropanol
Nickel(II) octanoate, in mineral spirits (8% Ni)
Potassium 2-ethylhexanoate hydrate
Potassium 2-ethylhexanoate hydrate, 95%
Potassium 2-ethylhexanoate, 99.9% (metals basis), 75% w/w soln.
Strontium 2-ethylhexanoate, 40% in 2-ethylhexanoic acid (8-12% Sr)
Thallium(I) 2-ethylhexanoate, 99.8% (metals basis)
Tin(II) 2-ethylhexanoate, tech.
Tin(IV) 2-ethylhexano-isopropoxide
Tin(IV) 2-ethylhexanoate diisopropoxide
Tin(IV) 2-ethylhexanoate diisopropoxide, 98% (metals basis)
Tri(ethylene glycol) bis(2-ethylhexanoate)
Tri(ethylene glycol) bis(2-ethylhexanoate), 90+%
Tri(ethylene glycol) bis(2-ethylhexanoate), 99%
Yttrium(III) 2-ethylhexanoate, 10% w/v in n-hexane
Yttrium(III) 2-ethylhexanoate, 99.8% (metals basis)
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)
| 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 | 6.48 | -46.76 | 0 | 2 | -1 | 40 | 143.206 | 5 | ↓ |
| 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 |
| 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 |
| 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 |
| 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 |
No pre-computed analogs available. Try a structural similarity search.