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Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 %
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.81800 to 0.82200 @ 20.00 °C.
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| Pounds per Gallon - (est).: | 6.815 to 6.848
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| Refractive Index: | 1.41400 to 1.41800 @ 20.00 °C.
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| Boiling Point: | 133.00 to 135.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 3.393000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 107.00 °F. TCC ( 41.67 °C. )
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| logP (o/w): | 1.650 |
| Soluble in: |
| | alcohol | | | water, 1.453e+004 mg/L @ 25 °C (est) | | | water, 1.61E+04 mg/L @ 25 °C (exp) |
Organoleptic Properties:
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| Odor Type: alcoholic |
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| | alcoholic medicinal ethereal |
Odor Description: at 1.00 % in dipropylene glycol. | alcoholic medicinal ethereal |
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| | fusel green solvent alcoholic fruit tropical fruit pineapple apple cider rummy |
Odor Description: at 1.00 %. | fusel, green, solventy alcoholic, with nuances of tropical fruits, pineapple, apple and cider and rum Mosciano, Gerard, (2009) |
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| Flavor Type: alcoholic |
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| | alcoholic solvent fusel rummy egg nog whiskey green fruity guava apple |
Taste Description: at 20.00 ppm. | alcoholic solvent like, fusel notes of rum, egg nogg and whiskey, green fruity nuances of guava and apple Mosciano, Gerard, (2009) |
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| Odor and/or flavor descriptions from others (if found). |
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Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xi - Irritant |
R 10 - Flammable. R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
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Not determined
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment: Search |
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice |
| Recommendation for 3-hexanol usage levels up to: | | | 0.6000 % in the fragrance concentrate.
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| Maximised Survey-derived Daily Intakes (MSDI-EU): | 11.00 (μg/capita/day) |
| Structure Class: | II |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
| publication number: 6 |
| Click here to view publication 6 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | 2.00000 |
| beverages(nonalcoholic): | - | 1.00000 |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | 1.00000 |
| fruit ices: | - | 1.00000 |
| gelatins / puddings: | - | 1.00000 |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | - | 2.00000 |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | 1.00000 |
| 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: | - | - |
Safety References:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission View page or View pdf |
Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 View page or View pdf |
Safety and efficacy of saturated and unsaturated aliphatic secondary alcohols, ketones and esters with esters containing secondary alcohols belonging to chemical group 5 when used as flavourings for all animal species View page or View pdf |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 623-37-0 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 12178 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2282 |
| WGK Germany: | 1 |
| | hexan-3-ol |
| Chemidplus: | 0000623370 |
| RTECS: | MIO857000 for cas# 623-37-0 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | ethyl N-propyl carbinol | | | ethyl propyl carbinol | | | hexan-3-ol | | 3- | hexyl alcohol |
Articles:
| PubMed: | Copper-organic frameworks assembled from in situ generated 5-(4-pyridyl)tetrazole building blocks: synthesis, structural features, topological analysis and catalytic oxidation of alcohols. |
| PubMed: | Synthetic cis-jasmone exposure induces wheat and barley volatiles that repel the pest cereal leaf beetle, Oulema melanopus L. |
| PubMed: | New active HIV-1 protease inhibitors derived from 3-hexanol: conformation study of the free inhibitors in crystalline state and in complex with the enzyme. |
| PubMed: | Selective hydroxylation of alkanes by an extracellular fungal peroxygenase. |
| PubMed: | Inhibition of MMPs by alcohols. |
| PubMed: | Synthesis of conformationally locked L-deoxythreosyl phosphonate nucleosides built on a bicyclo[3.1.0]hexane template. |
| PubMed: | Dependence of the enantioselectivity on reversion of layer directions in cholamide inclusion compounds. |
| PubMed: | [Identification of volatiles from field cotton plant under different induction treatments]. |
| PubMed: | Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum. |
| PubMed: | Reliability of fibres in solid-phase microextraction for routine analysis of the headspace of aromatic and medicinal plants. |
| PubMed: | Solid-phase microextraction: investigation of the metabolism of substances that may be abused by inhalation. |
| PubMed: | Impact of phase ratio, polydimethylsiloxane volume and size, and sampling temperature and time on headspace sorptive extraction recovery of some volatile compounds in the essential oil field. |
| PubMed: | Synthesis and biological activity of the four stereoisomers of 4-methyl-3-heptanol: main component of the aggregation pheromone of Scolytus amygdali. |
| PubMed: | Pharmaco attributes of dioleoylphosphatidylethanolamine/cholesterylhemisuccinate liposomes containing different types of cleavable lipopolymers. |
| PubMed: | Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase. |
| PubMed: | A comparison of lipase-catalysed ester and lactone synthesis in low-water systems: analysis of optimum water activity. |
| PubMed: | Functional Cyp2e1 is required for substantial in vivo formation of 2,5-hexanedione from n-hexane in the mouse. |
| PubMed: | An investigation into the role of rat skeletal muscle as a site for xenobiotic metabolism using microsomes and isolated cells. |
| PubMed: | Metabolism of n-hexane by rat liver and extrahepatic tissues and the effect of cytochrome P-450 inducers. |
| PubMed: | Alkoxy Radical Isomerization Products from the Gas-Phase OH Radical-Initiated Reactions of 2,4-Dimethyl-2-pentanol and 3,5-Dimethyl-3-hexanol. |
| PubMed: | Crystallization and preliminary X-ray study of Agkistrodon halys blomhoffii phospholipase A2 complexed with a specific inhibitor. |
| PubMed: | Synthesis, configuration, and evaluation of two conformationally restrained analogues of phencyclidine. |
| PubMed: | The relevance of 4,5-dihydroxy-2-hexanone in the excretion kinetics of n-hexane metabolites in rat and man. |
| PubMed: | Rat lung and liver microsomal cytochrome P-450 isozymes involved in the hydroxylation of n-hexane. |
| PubMed: | Methodological investigations on the determination of n-hexane metabolites in urine. |
| PubMed: | Analysis of n-hexane, 2-hexanone, 2,5-hexanedione, and related chemicals by capillary gas chromatography and high-performance liquid chromatography. |
| PubMed: | Selective inhibition by chloramphenicol of cytochrome P-450 isozymes in rat lung and liver involved in the hydroxylation of n-hexane. |
| PubMed: | Position specificity in n-hexane hydroxylation by two forms of cytochrome P-450 in rat liver microsomes. |
| PubMed: | Urinary excretion of n-hexane metabolites. A comparative study in rat, rabbit and monkey. |
| PubMed: | Phthalate esters I: Effects on cytochrome P-450 mediated metabolism in rat liver and lung, serum enzymatic activities and serum protein levels. |
| PubMed: | Experimental neurotoxicity and urinary metabolites of the C5-C7 aliphatic hydrocarbons used as glue solvents in shoe manufacture. |
| PubMed: | Regio-selectivity of purified forms of rabbit liver microsomal cytochrome P-450 in the metabolism of benzo(a)pyrene, n-hexane and 7-ethoxyresorufin. |
| PubMed: | Regulation of primary alkylsulfatase induction in Pseudomonas C12B: concentration-dependent stimulation-inhibition by exogenous UTP and sodium acetate and inhibition by 1-hexanol. |
| PubMed: | The specificities and configurations of ternary complexes of yeast and liver alcohol dehydrogenases. |
| PubMed: | The estimation of darstine, 1-(3-hydroxy-5-methyl-4-phenylhexyl)-1-methylpiper idinium bromide and its tertiary analog, 5-methyl-4-phenyl-1-(1-piperidyl)-3-hexanol hydrochloride, in plasma and urine. |
| PubMed: | Physiological economy of darstine, 5-methyl-4-phenyl-1-(piperidyl)-3-hexanol methobromide, visceral anticholinergic agent. |
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