| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 14 | Yes |
Popular Name: Dimethyl 1,4-cyclohexanedicarboxylate Dimethyl 1,4-cyclohexanedicarbox…
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CAS Numbers: 3399-21-1 , 3399-22-2 , 94-60-0 , [3399-21-1] , [94-60-0]
(1r,4r)-dimethyl cyclohexane-1,4-dicarboxylate
(1r,4r)-dimethylcyclohexane-1,4-dicarboxylate
(1s,4s)-Dimethyl cyclohexane-1,4-dicarboxylate
1,4-Cyclohexanedicarboxylic acid dimethyl ester
1,4-Cyclohexanedicarboxylic acid, 1,4-dimethyl ester
cis-Dimethyl cyclohexane-1,4-dicarboxylate
Cyclohexane-1,4-dicarboxylic acid dimethyl ester
Dimethyl 1,4-Cyclohexanedicarboxylate (cis- and trans- mixture)
Dimethyl 1,4-cyclohexanedicarboxylate, 90-95%, mixture of cis and trans
Dimethyl 1,4-cyclohexanedicarboxylate, cis + trans
Dimethyl 1,4-cyclohexanedicarboxylate, cis + trans, 90+%
dimethyl cyclohexane-1,4-dicarboxylate
DiMethyl trans-1,4-Cyclohexanedicarboxylate
Dimethyl trans-1,4-cyclohexanedicarboxylate, 99+%
Dimethyl trans-cyclohexane-1,4-dicarboxylate
Dimethyl trans-cyclohexane-1,4-dicarboxylate, 99%
Dimethyl1,4-cyclohexanedicarboxylate
DIMETHYLCYCLOHEXANEDICARBOXYLAT
Dimethyltrans-1,4-Cyclohexanedicarboxylate
| 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) | 1.72 | 6.11 | -7.09 | 0 | 4 | 0 | 53 | 200.234 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 129-131?/9mm | Alfa-Aesar |
| Boiling_Point | 129-131°/9mm | Alfa-Aesar |
| BP [°C] | 131 - 133 (p=11 torr) | Acros Organics |
| BP | 131-133°/11mm | Oakwood Chemical |
| Mp [°C] | 24 - 27 | Acros Organics |
| MP | 67 - 69 | Enamine Building Blocks |
| Mp [°C] | 67 - 70 | Acros Organics |
| Melting_Point | 67-69? | Alfa-Aesar |
| Melting_Point | 67-69° | Alfa-Aesar |
| MP | 67...69 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H412: Harmful to aquatic life with long lasting effects | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P273: Avoid release to the environment | Acros Organics |
| P phrase | P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| R phrase | R38: Irritating to skin. | Acros Organics |
| R phrase | R38: Irritating to skin.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S37: Wear suitable gloves. | Acros Organics |
| S phrase | S37: Wear suitable gloves.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
