3,7-dimethyl-6-octenoic acid
citronellic acid
Identification
| Name | 3,7-dimethyl-6-octenoic acid |
| IUPAC | 3,7-dimethyloct-6-enoic acid |
| CAS Number | 502-47-6 |
| EINECS | 207-939-7 |
| FDA UNII | 1JJT408R87 |
| Molecular Formula | C10 H18 O2 |
| Molecular Weight | 170.25186000 |
| MDL Number | MFCD00002728 |
| Nikkaji Number | J11.776E |
| Beilstein | 1722960 |
| CoE Number | 616 |
Regulatory
| JECFA Food Flavoring | 1221 3,7-dimethyl-6-octenoic acid |
| DG SANTE Food Flavourings | 08.036 citronellic acid |
| FEMA Number | 3142 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 502-47-6 ; 3,7-DIMETHYL-6-OCTENOIC ACID |
Physical Properties
| Appearance | colorless to yellow clear liquid (est) |
| Assay | 90.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.92500 to 0.92800 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.706 to 7.731 |
| Refractive Index | 1.45200 to 1.45500 @ 20.00 °C. |
| Boiling Point | 121.00 to 122.00 °C. @ 1.00 mm Hg, 126.00 °C. @ 4.00 mm Hg |
| Vapor Pressure | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w) | 3.159 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | antidandruff agents |
Organoleptic Properties
| Odor Description |
at 10.00 % in dipropylene glycol. at 1.00 %.
|
| Taste Description | at 5.00 - 30.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 2 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 2610 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 450 mg/kg |
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 3,7-dimethyl-6-octenoic acid usage levels up to | 2.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 2.70 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.20 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Tianjin Danjun International Trade Co., LTD.
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Potential Uses
Natural Occurrence
Synonyms
citonellic acid
citronellic acid
(±)-
citronellic acid
citronellicacid
citronellyl acid
(±)-3,7-
dimethyl-6-octenoic acid
3,7-
dimethyl-6-octenoic acid
3,7-
dimethyl-oct-6-enoic acid
3,7-
dimethyloct-6-enoic acid
6-
octenoic acid, 3,7-dimethyl-
rhodinolic acid
PubMed:
Biotransformations of terpenes by fungi from Amazonian citrus plants.
PubMed:
Bioefficacy of acyclic monoterpenes and their saturated derivatives against the West Nile vector Culex pipiens.
PubMed:
Inhibitory effects of geranic acid derivatives on melanin biosynthesis.
PubMed:
A piperidine chiron for the Veratrum alkaloids.
PubMed:
Environmental concentrations of methoprene and its transformation products after the treatment of Altosid® XR Briquets in the city of Richmond, British Columbia, Canada.
PubMed:
Fumigant toxicity of essential oils to the German cockroach (Dictyoptera: Blattellidae).
PubMed:
Topical toxicity of essential oils to the German cockroach (Dictyoptera: Blattellidae).
PubMed:
Oxidation of citronellal to citronellic acid by molecular oxygen using supported gold catalysts.
PubMed:
Efficacy of botanical extracts from Callitris glaucophylla, against Aedes aegypti and Culex annulirostris mosquitoes.
PubMed:
Malate:quinone oxidoreductase (MqoB) is required for growth on acetate and linear terpenes in Pseudomonas citronellolis.
PubMed:
Inhibition of citrus postharvest pathogens by vapor of citral and related compounds in culture.
PubMed:
Insecticidal activity of monoterpenoids to western corn rootworm (Coleoptera: Chrysomelidae), twospotted spider mite (Acari: Tetranychidae), and house fly (Diptera: Muscidae).
PubMed:
Isolation and characterization of Pseudomonas aeruginosa mutants deficient in the utilization of the terpenoid citronellic acid.
PubMed:
Catabolism of geraniol by cell suspension cultures of Citrus limon.
PubMed:
Metabolism of citral, an alpha,beta-unsaturated aldehyde, in male F344 rats.
PubMed:
Metabolism of geraniol and linalool in the rat and effects on liver and lung microsomal enzymes.
PubMed:
Biodegradation of acyclic isoprenoids by Pseudomonas species.
PubMed:
Microbial transformation of terpenoids. I. Identification of metabolites produced by a pseudomonad from citronellal and citral.