hexyl valerate
valeric acid, hexyl ester
Identification
| Name | hexyl valerate |
| IUPAC | hexyl pentanoate |
| CAS Number | 1117-59-5 |
| EINECS | 214-248-4 |
| FDA UNII | 4223QQU9RL |
| Molecular Formula | C11 H22 O2 |
| Molecular Weight | 186.29474000 |
| MDL Number | MFCD00053807 |
| Nikkaji Number | J184.201C |
| Beilstein | 1760230 |
| CoE Number | 10696 |
Regulatory
| DG SANTE Food Flavourings | 09.583 hexyl valerate |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.86000 to 0.86500 @ 20.00 °C. |
| Pounds per Gallon - (est). | 7.164 to 7.206 |
| Refractive Index | 1.41800 to 1.42400 @ 20.00 °C. |
| Melting Point | -63.10 °C. @ 760.00 mm Hg |
| Boiling Point | 226.00 to 227.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.090000 mmHg @ 25.00 °C. (est) |
| Flash Point | 190.00 °F. TCC ( 87.78 °C. ) |
| logP (o/w) | 4.352 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store under nitrogen., refrigerate in tightly sealed containers. store under nitrogen. |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description | oily fruity green brandy |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for hexyl valerate usage levels up to | 4.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.79 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 3900 (μg/person/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| Dairy products, excluding products of category 02.0 (01.0) | 7.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 5.00000 |
| Edible ices, including sherbet and sorbet (03.0) | 10.00000 |
| Processed fruit (04.1) | 7.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 10.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 5.00000 |
| Bakery wares (07.0) | 10.00000 |
| Meat and meat products, including poultry and game (08.0) | 2.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 2.00000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 5.00000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 10.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 5.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 10.00000 |
| Ready-to-eat savouries (15.0) | 20.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 5.00000 |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Lluch Essence S.L.
A family company dedicated to sales and distribution
Flexibility, availability, price and quality.
WholeChem, LLC
Connecting Innovators To the Building Blocks Of the Universe
Custom manufacturer and distributor of specialty ingredients. We make global local.
Potential Uses
Natural Occurrence
Synonyms
hexyl n-valerate
1-
hexyl N-valerate
hexyl pentanoate
hexyl valerianate
hexyl-valerate
pentanoic acid hexyl ester
pentanoic acid, hexyl ester
valeric acid hexyl ester
valeric acid, hexyl ester
PubMed:
Identification of potent odourants in wine and brewed coffee using gas chromatography-olfactometry and comprehensive two-dimensional gas chromatography.
PubMed:
The teratogenic potencies of valproic acid derivatives and their effects on biological end-points are related to changes in histone deacetylase and Erk1/2 activities.
PubMed:
Comparison of volatile components in Chinese traditional pickled peppers using HS-SPME-GC-MS, GC-O and multivariate analysis.
PubMed:
Potent neuroprotective effects of novel structural derivatives of valproic acid: potential roles of HDAC inhibition and HSP70 induction.
PubMed:
Toxicities of 31 volatile low molecular weight compounds against Aedes aegypti and Culex quinquefasciatus.
PubMed:
A sensitive liquid chromatographic method for the analysis of isovaleric and valeric acids in urine as fluorescent derivatives.
PubMed:
Metabolism of sameridine to monocarboxylated products by hepatocytes isolated from the male rat.
PubMed:
Biosynthesis of straight-chain ester volatiles in red delicious and granny smith apples using deuterium-labeled precursors.
PubMed:
Enhanced sensitivity to androstenone following regular exposure to pemenone.
PubMed:
Substrate and inhibitor specificity of mevalonate kinase determined with substrate analogues.
PubMed:
Stereoselective conjugation of 2-bromocarboxylic acids and their urea derivatives by rat liver glutathione transferase 12-12 and some other isoforms.
PubMed:
Pharmacokinetic analysis of ester prodrugs of valproic acid.
PubMed:
Chain length dependency of fatty acid and carbamate binding to serum albumin.
PubMed:
Fatty acid omega and (omega-1)-Hydroxylation in rabbit intestinal mucosa microsomes.