octyl hexanoate
hexanoic acid, octyl ester

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• 
  BOC Sciences

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  CODE104824 CODE104824
  Product(s):
  4887-30-3 n-Octyl caproate

• 
  Prodasynth

  PRODUCTEUR PAR ESSENCE
  Chemical specialist in manufacturing, distributing and sourcing of tailor-made ingredients for the Flavour & Fragrance industry.
  Today we are also proud to say, we have created an important range of Natural Molecules which can be found in our Raw Material Compendium. The versatility of our small but efficient structure is one of our main strengths when trying to fulfill our clients' requirements.
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  CODE104824 CODE104824
  Product(s):
  OCTYL CAPROATE (> 99%)

Name: octyl hexanoate CAS Number: 4887-30-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 225-499-4 FDA UNII: 19B54293W4 Nikkaji Web: J115.076F CoE Number: 10865 XlogP3: 5.30 (est) Molecular Weight: 228.37556000 Formula: C14 H28 O2 NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavor and fragrance agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search DG SANTE Food Flavourings: 09.677 octyl hexanoate   Physical Properties: Appearance: colorless clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.85000 to 0.85600 @ 25.00 °C. Pounds per Gallon - (est).: 7.073 to 7.123 Refractive Index: 1.42000 to 1.42600 @ 20.00 °C. Melting Point: -28.00 °C. @ 760.00 mm Hg Boiling Point: 274.00 to 275.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.005000 mmHg @ 25.00 °C. (est) Flash Point: 248.00 °F. TCC ( 120.00 °C. ) logP (o/w): 5.880 (est) Soluble in:   alcohol   water, 0.3631 mg/L @ 25 °C (est) Similar Items:note allyl hexanoate allyl thiohexanoate amyl hexanoate isoamyl hexanoate para-anisyl hexanoate benzyl hexanoate butyl hexanoate isobutyl hexanoate sec-butyl hexanoate cinnamyl hexanoate citronellyl hexanoate meta-cresyl hexanoate para-cresyl hexanoate cyclohexyl hexanoate decyl hexanoate dimethyl benzyl carbinyl hexanoate ethyl 2-acetyl hexanoate ethyl hexanoate furfuryl hexanoate geranyl hexanoate heptyl hexanoate sec-heptyl hexanoate (E)-3-hexen-1-yl hexanoate (E)-2-hexen-1-yl hexanoate (Z)-3-hexen-1-yl hexanoate hexyl hexanoate linalyl hexanoate menthyl hexanoate 3-mercaptohexyl hexanoate 2-methyl butyl hexanoate methyl hexanoate methyl thiohexanoate neryl hexanoate (Z)-2-penten-1-yl hexanoate phenethyl hexanoate 3-phenyl propyl hexanoate prenyl hexanoate propyl hexanoate isopropyl hexanoate sulfuryl hexanoate   Organoleptic Properties: Odor and/or flavor descriptions from others (if found). Prodasynth OCTYL CAPROATE (> 99%) Odor Description:BLAND FRUITY, MILD HERBACEOUS   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. n-Octyl caproate Inoue Perfumery OCTYL HEXANOATE Prodasynth OCTYL CAPROATE (> 99%) Odor: BLAND FRUITY, MILD HERBACEOUS   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: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   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 octyl hexanoate usage levels up to:   6.0000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (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): 7.00000 35.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.00000 25.00000 Edible ices, including sherbet and sorbet (03.0): 10.00000 50.00000 Processed fruit (04.1): 7.00000 35.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 10.00000 50.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.00000 25.00000 Bakery wares (07.0): 10.00000 50.00000 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): 5.00000 25.00000 Foodstuffs intended for particular nutritional uses (13.0): 10.00000 50.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.00000 25.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.00000 50.00000 Ready-to-eat savouries (15.0): 20.00000 100.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.00000 25.00000   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): Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :21006 National Institute of Allergy and Infectious Diseases:Data octyl hexanoate Chemidplus:0004887303   References:   octyl hexanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 21006 Pubchem (sid): 134984816 Pherobase: View   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements HMDB (The Human Metabolome Database): Search Typical G.C. VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note None Found   Potential Uses: FL plum greengage plum   Occurrence (nature, food, other):note   carica pentagona heilborn fruit Search Trop Picture   heracleum paphlagonicum czeczott fruit oil turkey @ 10.20% Data GC Search Trop Picture   muskmelon Search Trop Picture   parsnip Search Trop Picture   Synonyms:   hexanoic acid octyl ester   hexanoic acid, octyl ester   octyl caproate   Articles:   None found yet. Try the PubMed Search.

Notes: None found