loading...| Preferred Name |
hexylene glycol |
|
| Synonyms |
Hexylene glycol 1,3,3-trimethyl-1,3-propanediol 4-Methyl-2,4-pentanediol alpha,alpha,alpha'-trimethyltrimethylene glycol 1,1,3-trimethyl-1,3-propanediol 2-Methyl-2,4-pentandiol 1,3-dimethyl-3-hydroxybutanol 2,4-Dihydroxy-2-methylpentane 2-Methyl-2,4-pentanediol 2-Methyl pentane-2,4-diol 1,1,3-Trimethyltrimethylenediol MPD 2-methylpentane-2,4-diol |
|
| Definitions |
A glycol in which the two hydroxy groups are at positions 2 and 4 of 2-methylpentane (isopentane). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_62995 |
|
| alternative label |
Hexylene glycol 1,3,3-trimethyl-1,3-propanediol 4-Methyl-2,4-pentanediol alpha,alpha,alpha'-trimethyltrimethylene glycol 1,1,3-trimethyl-1,3-propanediol 2-Methyl-2,4-pentandiol 1,3-dimethyl-3-hydroxybutanol 2,4-Dihydroxy-2-methylpentane 2-Methyl-2,4-pentanediol 2-Methyl pentane-2,4-diol 1,1,3-Trimethyltrimethylenediol MPD 2-methylpentane-2,4-diol |
|
| charge |
0 |
|
| database_cross_reference |
CAS:107-41-5 PMID:886995 PMID:14524450 Patent:WO2010048675 PMID:20185893 Wikipedia:2-Methyl-2,4-pentanediol PMID:2529099 Reaxys:1098298 Beilstein:1098298 PPDB:1315 |
|
| definition |
A glycol in which the two hydroxy groups are at positions 2 and 4 of 2-methylpentane (isopentane). |
|
| formula |
C6H14O2 |
|
| has_exact_synonym |
2-methylpentane-2,4-diol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Hexylene glycol 1,3,3-trimethyl-1,3-propanediol 4-Methyl-2,4-pentanediol alpha,alpha,alpha'-trimethyltrimethylene glycol 1,1,3-trimethyl-1,3-propanediol 2-Methyl-2,4-pentandiol 1,3-dimethyl-3-hydroxybutanol 2,4-Dihydroxy-2-methylpentane 2-Methyl-2,4-pentanediol 2-Methyl pentane-2,4-diol 1,1,3-Trimethyltrimethylenediol MPD |
|
| has_RxCUI |
1305548 |
|
| id |
CHEBI:62995 |
|
| in_subset | ||
| inchi |
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 |
|
| inchikey |
SVTBMSDMJJWYQN-UHFFFAOYSA-N |
|
| label |
hexylene glycol 2-methylpentane-2,4-diol |
|
| mass |
118.17420 |
|
| monoisotopicmass |
118.09938 |
|
| notation |
CHEBI:62995 |
|
| prefLabel |
hexylene glycol |
|
| smiles |
CC(O)CC(C)(C)O |
|
| subClassOf |