3-methyl-3-pentanol
3-pentanol, 3-methyl-

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  13-61905 3-METHYL-3-PENTANOL

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  Product(s):
  W508209 3-Methyl-3-pentanol, ≥99%, FG
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  M0387 3-Methyl-3-pentanol >98.0%(GC)
  SDS

Name: 3-methylpentan-3-ol CAS Number: 77-74-7 3D/inchi ECHA EINECS - REACH Pre-Reg: 201-053-4 FDA UNII: SR4551FEKB Nikkaji Web: J69.490H Beilstein Number: 1731456 MDL: MFCD00004483 CoE Number: 10277 XlogP3: 1.40 (est) Molecular Weight: 102.17678000 Formula: C6 H14 O BioActivity Summary: listing NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring 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: 02.184 3-methylpentan-3-ol   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.82400 to 0.83000 @ 25.00 °C. Pounds per Gallon - (est).: 6.857 to 6.906 Refractive Index: 1.41500 to 1.42100 @ 20.00 °C. Melting Point: -38.00 °C. @ 760.00 mm Hg Boiling Point: 121.00 to 123.00 °C. @ 760.00 mm Hg Vapor Pressure: 6.653000 mmHg @ 25.00 °C. (est) Flash Point: 115.00 °F. TCC ( 46.11 °C. ) logP (o/w): 1.603 (est) Soluble in:   alcohol   water, 1.286e+004 mg/L @ 25 °C (est)   water, 4.26E+04 mg/L @ 25 °C (exp) Insoluble in:   water   Organoleptic Properties: Odor Type: green fruity green leafy Odor Description:at 1.00 % in dipropylene glycol. powerful fruity green leafy Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: DeLong Chemicals America 3-Methyl-3-pentanol Penta International 3-METHYL-3-PENTANOL Santa Cruz Biotechnology For experimental / research use only. 3-Methyl-3-pentanol Sigma-Aldrich 3-Methyl-3-pentanol, ≥99%, FG sds Odor: fruity; green Certified Food Grade Products TCI AMERICA For experimental / research use only. 3-Methyl-3-pentanol >98.0%(GC) sds   Safety Information: Preferred SDS: View European information : Most important hazard(s): Xn - Harmful. R 10 - Flammable. R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. 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 37/39 - Wear suitable gloves and eye/face protection.   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 710 mg/kg (Brown et al., 1955) oral-mouse LDLo 750 mg/kg "Narkoseversuche mit Hoheren Alkoholen und Stickstoffderivaten, Dissertation," Leube, F., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1931Vol. -, Pg. -, 1931. oral-rat LD50 710 mg/kg Journal of Pharmacology and Experimental Therapeutics. Vol. 115, Pg. 230, 1955. Dermal Toxicity: subcutaneous-mouse LD50 1100 mg/kg Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 161, 1955. Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for 3-methyl-3-pentanol 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): 3900 (μg/person/day) Threshold of Concern: 540 (μg/person/day) Structure Class: II   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): Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6 View page or View pdf Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 18, Revision 2 (FGE.18Rev2): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8. View page or View pdf Scientific Opinion on Flavouring Group Evaluation 18, Revision 3 (FGE.18Rev3): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8. View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):77-74-7 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :6493 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1987 WGK Germany:3 3-methylpentan-3-ol Chemidplus:0000077747 RTECS:SA7450000 for cas# 77-74-7   References:   3-methylpentan-3-ol NIST Chemistry WebBook: Search Inchi Pubchem (cid): 6493 Pubchem (sid): 134972646   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 CHEMBL: View HMDB (The Human Metabolome Database): Search FooDB: FDB004621 Export Tariff Code: 2905.19.9090 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View Wikipedia: View   Potential Blenders and core components note For Odor No odor group found for these (E)- tiglaldehyde FL/FR animal animal para- cresyl isobutyrate FL/FR balsamic iso amyl benzoate FL/FR citrus 2- heptanol FL/FR petitgrain combava oil FR dairy methyl butyl phenyl acetate FL/FR ethereal 2- methyl valeraldehyde FL/FR fatty 3- decen-2-one FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR (E)-2- octenal FL/FR fermented 3- methyl-1-pentanol FL/FR floral allyl anthranilate FL/FR boronia absolute FL/FR citronellyl propionate FL/FR gamma- damascone FR 6,8- dimethyl-2-nonanol FR (E)- geranyl acetone FL/FR papaya isobutyrate FL/FR fruity acetaldehyde dihexyl acetal FL/FR allyl butyrate FL/FR iso amyl butyrate FL/FR amyl hexanoate FL/FR iso amyl isovalerate FL/FR iso amyl octanoate FL/FR artemisia pallens herb oil FL/FR berry pentadienoate FL/FR butyl 2-methyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR 2- cyclopentyl cyclopentanone FL/FR davana oil CO2 extract FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl 2-octenoate FL/FR ethyl 3-acetoxyhexanoate FL/FR ethyl acetoacetate FL/FR ethyl methyl-para-tolyl glycidate FL/FR geranyl isovalerate FL/FR heptyl isobutyrate FL/FR hexanal propylene glycol acetal FL/FR 2- hexen-1-ol FL/FR (E)-2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl 2-methyl-2-pentenoate FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl (E)-tiglate FL/FR hexyl acetate FL/FR hexyl isovalerate FL/FR hexyl propionate FL/FR linalyl hexanoate FL/FR methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR 2- pentyl furan FL/FR 4- phenyl-2-butyl acetate FL/FR pineapple pentenoate FL/FR prenol FL/FR prenyl ethyl ether FL/FR prenyl hexanoate FL/FR iso propyl 2-methyl butyrate FL/FR rhubarb undecane FR tetrahydrofurfuryl butyrate FL/FR tropical indene FR tropical thiazole FL/FR green acetaldehyde benzyl 2-methoxyethyl acetal FL/FR acetaldehyde butyl phenethyl acetal FL/FR acetaldehyde di-(Z)-3-hexen-1-yl acetal FL/FR acetaldehyde dipropyl acetal FL/FR acetaldehyde ethyl phenethyl acetal FL/FR acetaldehyde methyl hexyl acetal FR iso amyl formate FL/FR cognac heptanone FL/FR alpha- decalactone FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-4-decenoate FL/FR galbanum oil terpeneless FL/FR geranium absolute FL/FR 1- heptanol FL/FR heptyl cinnamate FL/FR (Z)-2- hexen-1-ol FL/FR 3- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (Z)-3- hexen-1-yl (E)-crotonate FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl benzoate FL/FR (E)-2- hexen-1-yl formate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (Z)-3- hexen-1-yl methyl carbonate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR (E)-2- hexenal FL/FR 3- hexenal FL/FR 2- hexenyl acetate FL/FR hexyl butyrate FL/FR hexyl heptanoate FL/FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR (Z)- leaf acetal FL/FR leafy acetal FL/FR manzanate (Givaudan) FL/FR methyl heptine carbonate FL/FR (E,Z)-2,6- nonadien-1-yl acetate FL/FR octanal dimethyl acetal FL/FR (Z)-5- octen-1-yl propionate FL/FR (E)-2- pentenal FL/FR phenoxyethyl isobutyrate FL/FR 3- phenyl propionaldehyde FL/FR alpha-iso propyl phenyl acetaldehyde FL/FR iso propyl phenyl propionaldehyde FR propylene acetal FL/FR rose leaf absolute (rosa centifolia) FL/FR sorbyl isobutyrate FL/FR styralyl acetate FL/FR thiogeraniol FL/FR violet dienyne FR violet leaf oil (viola odorata) FL/FR herbal sweet basil absolute FL/FR lovage tincture FL/FR rosemary oleoresin FL/FR tricyclodecyl acetate FR minty iso pulegyl formate FL/FR pine plectranthus glandulosus hook f. leaf oil cameroon FR sulfurous buchu mercaptan FL/FR 3-( methyl thio) hexanol FL/FR tropical beta- cyclocitral FL/FR waxy 9- decenoic acid FL/FR (E)- methyl geranate FL/FR octyl 2-methyl butyrate FL/FR woody verdoxan FR woody acetate FR For Flavor No flavor group found for these acetaldehyde benzyl 2-methoxyethyl acetal FL/FR acetaldehyde di-(Z)-3-hexen-1-yl acetal FL/FR allyl anthranilate FL/FR allyl tiglate FL 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR ethyl 3-acetoxyhexanoate FL/FR (E,E)-2,4- heptadien-1-ol FL heptyl cinnamate FL/FR 3- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-crotonate FL/FR (E)-2- hexenal FL 2- hexenal FL 2- hexenal diethyl acetal FL 2- hexenyl acetate FL/FR hexyl (E)-2-hexenoate FL hexyl heptanoate FL/FR hexyl propionate FL/FR linalyl hexanoate FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR methyl 4-pentenoate FL (E)- methyl geranate FL/FR (E)-2- methyl-2-octenal FL 2- methyl-2-octenal FL 2- methyl-3-heptanone FL (E,E)-3,5- octadien-2-one FL 1,5- octadien-3-ol FL 4- phenyl-2-butyl acetate FL/FR prenyl ethyl ether FL/FR prenyl hexanoate FL/FR alpha-iso propyl phenyl acetaldehyde FL/FR propylene acetal FL/FR iso pulegyl formate FL/FR (E)- tiglaldehyde FL/FR sorbyl isobutyrate FL/FR alliaceous alliaceous tropical thiazole FL/FR aromatic para- cresyl isobutyrate FL/FR leafy acetal FL/FR berry heptyl isobutyrate FL/FR citrus cognac heptanone FL/FR cooling manzanate (Givaudan) FL/FR dairy methyl butyl phenyl acetate FL/FR earthy 1- hexen-3-yl acetate FL estery ethyl acetoacetate FL/FR fatty ethyl (E)-4-decenoate FL/FR (Z)-3- hexen-1-yl benzoate FL/FR (E)-2- octenal FL/FR floral citronellyl propionate FL/FR (E)- geranyl acetone FL/FR fruity iso amyl benzoate FL/FR amyl hexanoate FL/FR iso amyl octanoate FL/FR artemisia pallens herb oil FL/FR berry pentadienoate FL/FR boronia absolute FL/FR butyl 2-methyl butyrate FL/FR butyl isobutyrate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR davana oil CO2 extract FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-2-octenoate FL ethyl 2-octenoate FL/FR ethyl methyl-para-tolyl glycidate FL/FR furfuryl propionate FL 2- heptanol FL/FR hexanal propylene glycol acetal FL/FR 2- hexen-1-ol FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl isobutyrate FL/FR hexyl acetate FL/FR methyl (E)-3-nonenoate FL methyl 3-nonenoate FL/FR 2- methyl butyl 2-methyl butyrate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR octen-1-yl cyclopentanone FL/FR pineapple pentenoate FL/FR prenol FL/FR iso propyl 2-methyl butyrate FL/FR styralyl acetate FL/FR tetrahydrofurfuryl butyrate FL/FR green acetaldehyde butyl phenethyl acetal FL/FR acetaldehyde dihexyl acetal FL/FR acetaldehyde dipropyl acetal FL/FR acetaldehyde ethyl phenethyl acetal FL/FR allyl butyrate FL/FR iso amyl formate FL/FR iso amyl isovalerate FL/FR 3- decen-2-one FL/FR galbanum oil terpeneless FL/FR geranium absolute FL/FR geranyl isovalerate FL/FR (Z)-2- hexen-1-ol FL/FR (E)-2- hexen-1-ol FL/FR (E)-2- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (E)-2- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (Z)-3- hexen-1-yl lactate FL/FR (Z)-3- hexen-1-yl methyl carbonate FL/FR (E)-2- hexen-1-yl propionate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexen-1-yl valerate FL/FR (E)-2- hexenal FL/FR 3- hexenal FL/FR (E)-2- hexenal diethyl acetal FL hexyl (E)-tiglate FL/FR hexyl butyrate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR (Z)- leaf acetal FL/FR methyl 2-undecynoate FL methyl heptine carbonate FL/FR (E,Z)-2,6- nonadien-1-yl acetate FL/FR octanal dimethyl acetal FL/FR (Z)-5- octen-1-yl propionate FL/FR papaya isobutyrate FL/FR (E)-2- pentenal FL/FR 2- pentyl furan FL/FR phenoxyethyl isobutyrate FL/FR 3- phenyl propionaldehyde FL/FR rose leaf absolute (rosa centifolia) FL/FR thiogeraniol FL/FR violet leaf oil (viola odorata) FL/FR herbal sweet basil absolute FL/FR lovage tincture FL/FR rosemary oleoresin FL/FR metallic 3-( methyl thio) hexanol FL/FR rummy (E)-2- hexen-1-yl formate FL/FR solvent 1- heptanol FL/FR sour 3- methyl valeric acid FL sulfurous buchu mercaptan FL/FR tropical beta- cyclocitral FL/FR vegetable 2- methyl valeraldehyde FL/FR waxy iso amyl butyrate FL/FR 9- decenoic acid FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR whiskey 3- methyl-1-pentanol FL/FR   Potential Uses: FR cyclamen FR fruit FL green   leaf   Occurrence (nature, food, other):note   pepper bell pepper fruit Search Trop Picture   plumcot fruit - 0.034 mg/kg Search PMC Picture   Synonyms:   acetone dimethyl ketal   acetone-dimethyl acetal   acetone, dimethyl acetal   diethyl methyl carbinol 2- ethinylbutanol   ethinylmethylethylcarbinol   mepentamato   methyl diethyl carbinol 3- methyl pentan-3-ol   methyldiethylcarbinol 3- methylpentan-3-ol 3- methylpentin-3-ol   metilpentinolo   pentan-3-ol, 3-methyl- 3- pentanol, 3-methyl-   pentydrom m- pentynol   placidal   Articles:   None found yet. 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Notes: None found