|
Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.79900 to 0.80500 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 6.648 to 6.698
|
| Refractive Index: | 1.39900 to 1.41500 @ 20.00 °C.
|
| Boiling Point: | 117.00 to 118.00 °C. @ 760.00 mm Hg (est)
|
| Vapor Pressure: | 16.915001 mmHg @ 25.00 °C. (est) |
| Flash Point: | 64.00 °F. TCC ( 17.78 °C. )
|
| logP (o/w): | 1.777 (est) |
| Soluble in: |
| | alcohol | | | water, 3930 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| |
| Hazards identification |
| |
| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
| |
| Pictogram | |
| |
| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
oral-rat LD50 5660 ul/kg
(Smyth et al., 1962)
oral-rat LD50 5660 uL/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
|
| Dermal Toxicity: |
skin-rabbit LD50 4460 ul/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
skin-rabbit LD50 4460 uL/kg
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
|
| Inhalation Toxicity: |
inhalation-rat LCLo 16000 ppm/4H
American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
|
Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for isohexanal usage levels up to: | | | not for fragrance use.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0012 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1000 (μg/person/day) |
| Threshold of Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
| |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| | average usage mg/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 3.00000 | 15.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 |
| Processed fruit (04.1): | 2.00000 | 10.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 4.00000 | 20.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 10.00000 |
| Bakery wares (07.0): | 5.00000 | 25.00000 |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | 3.00000 | 15.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | - | - |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 20.00000 |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 2.00000 | 10.00000 |
Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| iso | caproaldehyde | | 4- | methyl pentanal | | 4- | methyl valeraldehyde | | 4- | methylpentaldehyde | | 4- | methylpentanal | | 4- | methylvaleraldehyde | | | pentanal, 4-methyl- | | | valeraldehyde, 4-methyl- |
Articles:
| PubMed:Rat aldose reductase-like protein (AKR1B14) efficiently reduces the lipid peroxidation product 4-oxo-2-nonenal. |
| PubMed:Crystallization and preliminary X-ray analysis of a rat aldose reductase-like protein (AKR1B14). |
| PubMed:AKR1B7 (mouse vas deferens protein) is dispensable for mouse development and reproductive success. |
| PubMed:Activation of the glucocorticoid receptor or liver X receptors interferes with growth hormone-induced akr1b7 gene expression in rat hepatocytes. |
| PubMed:Decreased expression of cyclic adenosine monophosphate-regulated aldose reductase (AKR1B1) is associated with malignancy in human sporadic adrenocortical tumors. |
| PubMed:Adrenocorticotropin/3',5'-cyclic AMP-mediated transcription of the scavenger akr1-b7 gene in adrenocortical cells is dependent on three functionally distinct steroidogenic factor-1-responsive elements. |
| PubMed:Hormonal and developmental regulation of the mouse aldose reductase-like gene akr1b7 expression in Leydig cells. |
| PubMed:Steroidogenic factor-1 controls the aldose reductase akr1b7 gene promoter in transgenic mice through an atypical binding site. |
| PubMed:Role of three SF-1 binding sites in the expression of the mvdp/akr1-b7 isocaproaldehyde reductase in Y1 cells. |
| PubMed:Physiological functions and hormonal regulation of mouse vas deferens protein (AKR1B7) in steroidogenic tissues. |
| PubMed:Adrenal tumorigenesis targeted by the corticotropin-regulated promoter of the aldo-keto reductase AKR1B7 gene in transgenic mice. |
| PubMed:SF-1 (steroidogenic factor-1), C/EBPbeta (CCAAT/enhancer binding protein), and ubiquitous transcription factors NF1 (nuclear factor 1) and Sp1 (selective promoter factor 1) are required for regulation of the mouse aldose reductase-like gene (AKR1B7) expression in adrenocortical cells. |
| PubMed:Product of side-chain cleavage of cholesterol, isocaproaldehyde, is an endogenous specific substrate of mouse vas deferens protein, an aldose reductase-like protein in adrenocortical cells. |
| PubMed:Aldose reductase is a major reductase for isocaproaldehyde, a product of side-chain cleavage of cholesterol, in human and animal adrenal glands. |
| PubMed:Steric course of the rhodium-catalyzed decarbonylation of chiral 4-methyl-[1-3H,2-2H1]pentanal. |
| PubMed:New assays for the enzymatic conversion of cholesterol to pregnenolone. |
| PubMed:The final step of side-chain cleavage of cholesterol by adrenocortical cytochrome P-450(scc) studied with [22(-18)O]20,22-dihydroxycholesterols, [18O]isocaproaldehyde, [18O]water and atmospheric [18O]oxygen. |
| PubMed:Implication of ligand modified spectra of cytochrome P-450 associated with pregnenolone synthesis in mitochondria from corpus luteum. |
| PubMed:Formation of isocaproaldehyde in the enzymatic cleavage of cholesterol side chain by adrenal extract. |
|
3D/inchi