loading...| Preferred Name |
hydroxycitronellal |
|
| Synonyms |
3,7-dimethyl-7-hydroxyoctan-1-al 7-hydroxycitronellal 3,7-Dimethyl-7-hydroxyoctanal hydroxy citronellal Citronellal hydrate 7-hydroxy-3,7-dimethyloctanal |
|
| Definitions |
The tertiary alcohol arising from addition of water across the C=C double bond of citronellal. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_53459 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:107-75-5 PMID:8879930 PMID:19243479 PMID:3264801 Beilstein:1721290 PMID:17598033 HMDB:HMDB0031739 PMID:8735869 PMID:14678209 PMID:20495907 PMID:20795681 PMID:8681536 PMID:21392029 PMID:2808836 PMID:17936526 PMID:455972 PMID:467024 Reaxys:1721290 PMID:12786728 |
|
| definition |
The tertiary alcohol arising from addition of water across the C=C double bond of citronellal. |
|
| formula |
C10H20O2 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
7-hydroxy-3,7-dimethyloctanal |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3,7-dimethyl-7-hydroxyoctan-1-al 7-hydroxycitronellal 3,7-Dimethyl-7-hydroxyoctanal hydroxy citronellal Citronellal hydrate |
|
| id |
CHEBI:53459 |
|
| in_subset | ||
| inchi |
InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3 |
|
| inchikey |
WPFVBOQKRVRMJB-UHFFFAOYSA-N |
|
| label |
hydroxycitronellal |
|
| mass |
172.26460 |
|
| monoisotopicmass |
172.14633 |
|
| notation |
CHEBI:53459 |
|
| prefLabel |
hydroxycitronellal |
|
| smiles |
[H]C(=O)CC(C)CCCC(C)(C)O |
|
| treeView | ||
| subClassOf |