hernandulcin
2-cyclohexen-1-one, 6-(1-hydroxy-1,5-dimethyl-4-hexenyl)-3-methyl-, (S-(R*,R*))-
Identification
| Name | hernandulcin |
| IUPAC | (6S)-6-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one |
| CAS Number | 95602-94-1 |
| FDA UNII | 7V22TJL7NX |
| Molecular Formula | C15 H24 O2 |
| Molecular Weight | 236.35468000 |
| Nikkaji Number | J444.991F |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 368.90 °C. @ 760.00 mm Hg (est) |
| Flash Point | 315.00 °F. TCC ( 157.40 °C. ) (est) |
| logP (o/w) | 3.010 (est) |
| Soluble in | water, 45.3 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | oral-mouse LD > 2000 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for hernandulcin usage levels up to | not for fragrance use. |
| Recommendation for hernandulcin flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
2-
cyclohexen-1-one, 6-(1-hydroxy-1,5-dimethyl-4-hexenyl)-3-methyl-, (S-(R*,R*))-
(S-(R*,R*))-6-(1-
hydroxy-1,5-dimethyl-4-hexenyl)-3-methyl-2-cyclohexen-1-one
(6S)-6-[(2S)-2-
hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one
PubMed:
Molecular cloning and characterization of (+)-epi-α-bisabolol synthase, catalyzing the first step in the biosynthesis of the natural sweetener, hernandulcin, in Lippia dulcis.
PubMed:
The relevance of higher plants in lead compound discovery programs.
PubMed:
A DFT analysis of thermal decomposition reactions important to natural products.
PubMed:
Essential oil from leaves of Lippia dulcis grown in Colombia.
PubMed:
Antiproliferative constituents in plants 9. Aerial parts of Lippia dulcis and Lippia canescens.
PubMed:
(+)-4 beta-hydroxyhernandulcin, a new sweet sesquiterpene from the leaves and flowers of Lippia dulcis.
PubMed:
Lippia dulcis shoot cultures as a source of the sweet sesquiterpene hernandulcin.
PubMed:
Hernandulcin in hairy root cultures of Lippia dulcis.
PubMed:
Analysis of structural features responsible for the sweetness of the sesquiterpene, hernandulcin.
PubMed:
The intensely sweet herb, Lippia dulcis Trev.: historical uses, field inquiries, and constituents.
PubMed:
Hernandulcin: an intensely sweet compound discovered by review of ancient literature.