| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: Phenoxyacetic acid Phenoxyacetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 122-59-8 , 313222-85-4 , 3598-16-1 , 71995-54-5 , 76172-73-1 , N/A , [313222-85-4] , [3598-16-1]
122-59-8; C02181; Phenoxyacetate; Phenoxyacetic acid
CCRIS 7276; LS-188557; Triaquabis(phenoxyacetato) copper; Triaquabis(phenoxyacetato)copper
MagnesiuM Phenoxyacetate Dihydrate
MagnesiuMPhenoxyacetateDihydrate
Phenoxyacetic acid magnesium salt
Phenoxyacetic acid sodium salt hemihydrate
Phenoxyacetic acid sodium salt hydrate
Phenoxyacetic acid, sodium salt hydrate
| 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) | 1.24 | 5.33 | -46.39 | 0 | 3 | -1 | 49 | 151.141 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 100 | TCI |
| BP [°C] | 285 | Acros Organics |
| Boiling_Point | 285? | Alfa-Aesar |
| Boiling_Point | 285° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| MP | 98 - 100 | Enamine Building Blocks |
| Mp [°C] | 98 - 101 | Acros Organics |
| M.P | 98-100 °C | Indofine |
| Melting_Point | 98-101? | Alfa-Aesar |
| Melting_Point | 98-101° | Alfa-Aesar |
| MP | 98...100 | Enamine Building Blocks |
| MP | 99 | TCI |
| Patent Database Links | EP1380580; EP1595540; EP1728508; EP1745791; EP1767534; EP1810673; US2002173051; US2004265899; US2005020685; US2005090513; US2006100275; US2007207968; US2007254920; US2007254932; US2007264241; WO2005066136; WO2005123067; WO2006015150; WO2007089330 | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| UniProt Database Links | MPA51_PHAAQ; MPA52_PHAAQ; MPA53_PHAAQ; MPA54_PHAAQ; MPA5A_LOLPR; MPA5A_PHLPR; MPA5B_LOLPR; MPA5B_PHLPR; MPA91_POAPR; MPA92_POAPR; MPA93_POAPR; MPAP6_PHLPR; S226A_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONA | ChEBI |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| UniProt Database Links | S226A_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONAB; S22A6_PSEAM; S22A6_RABIT; S22A6_RAT; S22A8_HUMAN; S22A8_MACFA; S22A8_RAT | ChEBI |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.