| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 7th, 2005 | 10 | No |
Popular Name: trans,trans-Muconic acid trans,trans-Muconic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3588-17-8 , 505-70-4 , [3588-17-8]
(2E,4E)-hexa-2,4-dienedioic acid
(E,E)-muconate; trans,trans-2,4-hexadienedioic acid; trans,trans-Buta-1,3-diene-1,4-dicarboxylate
trans,trans-1,3-Butadiene-1,4-dicarboxylic acid
trans,trans-1,3-Butadiene-1,4-dicarboxylic acid, 98+%
trans,trans-2,4-Hexadienedioic acid
| 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) | -0.16 | 2.82 | -97.6 | 0 | 4 | -2 | 80 | 140.094 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 290 | Acros Organics |
| BP [°C] | 320 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Melting_Point | ca 300? dec. | Alfa-Aesar |
| Melting_Point | ca 300° dec. | Alfa-Aesar |
| UniProt Database Links | CATA1_ACILW; CATA2_ACILW; CATA_ACIAD; CATA_ACICA; CATA_ACIGI; CATA_ACIRA; CATA_RHOOP; CATB1_ACILW; CATB2_ACILW; CATB_ACIAD; CATB_PSEPU; CATB_RHOOP; CATM_ACIAD; CATR_PSEPU; CBNB_CUPNE; CLCA_PSEPU; CLCA_RHOOP; CLCB_PSEPU; CMLE_NEUCR; DC4C_ACIAD; DODA_BETVU | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| UniProt Database Links | HPCC_ECOLX; HPCD_ECOLX | 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 | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| 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 |
| Patent Database Links | US2005249784 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
