Substance
- Substance Name: 2,2,4-trimethyl-1,3-pentanediol
- Formula: C8H18O2
- Molecular Weight: 146.23 g/mol
- Identifiers:
- inchi: InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3
- inchikey: JCTXKRPTIMZBJT-UHFFFAOYSA-N
- casrn: 144-19-4
- csmiles: CC(C)C(C(C)(C)CO)O
- ismiles: CC(C)C(C(C)(C)CO)O
- pubchemId: 8946
- iupacname: 2,2,4-trimethylpentane-1,3-diol
- wikidataId: Q24817446
- chemspiderId: 8602
- dsstoxcmpId: DTXCID407113
- chemblId: CHEMBL3184961
- ecnumber: 205-619-1
2,2,4-trimethyl-1,3-pentanediol
Systems and Datasets
- 2,2,4-trimethyl-1,3-pentanediol (Datasets: 2)
- Dataset 93 in paper 10.1021/acs.jced.8b00298 (Dataseries: 1, Datapoints: 1, Quantity: Critical temperature)
- Dataset 94 in paper 10.1021/acs.jced.8b00298 (Dataseries: 1, Datapoints: 1, Quantity: Critical pressure)