methyl 3-hydroxybutyrate
methyl 3-hydroxybutanoate

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  BOC Sciences

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  Product(s):
  1487-49-6 Methyl 3-hydroxybutyrate

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  Penta International Corporation

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  13-52000 METHYL-3-HYDROXYBUTYRATE

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  Sigma-Aldrich

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  Product(s):
  W445000 Methyl 3-hydroxybutyrate, ≥95%
  SDS

Name: methyl 3-hydroxybutanoate CAS Number: 1487-49-6 3D/inchi ECHA EINECS - REACH Pre-Reg: 216-068-1 FDA UNII: S36O46U3EA Nikkaji Web: J40.571J MDL: MFCD00129999 XlogP3-AA: -0.20 (est) Molecular Weight: 118.13230000 Formula: C5 H10 O3 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 JECFA Food Flavoring: 1947 methyl 3-hydroxybutyrate FEMA Number: 4450 methyl 3-hydroxybutyrate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 1487-49-6 ; METHYL 3-HYDROXYBUTYRATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.05300 to 1.06100 @ 20.00 °C. Pounds per Gallon - (est).: 8.772 to 8.839 Refractive Index: 1.41700 to 1.42500 @ 20.00 °C. Boiling Point: 158.00 to 160.00 °C. @ 760.00 mm Hg Acid Value: 1.00 max. KOH/g Vapor Pressure: 0.768000 mmHg @ 25.00 °C. (est) Flash Point: 161.00 °F. TCC ( 71.67 °C. ) logP (o/w): -0.412 (est) Soluble in:   alcohol   water, 4.728e+005 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: apple fruity green apple winey Odor Description:at 100.00 %. mild fruity green apple winey Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. Methyl 3-hydroxybutyrate Inoue Perfumery METHYL 3-HYDROXYBUTYRATE Penta International METHYL-3-HYDROXYBUTYRATE Sigma-Aldrich Methyl 3-hydroxybutyrate, ≥95% sds Certified Food Grade Products   Safety Information: Preferred SDS: View European information : Most important hazard(s): Xi - Irritant R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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.   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: flavoring agents Recommendation for methyl 3-hydroxybutyrate usage levels up to:   not for fragrance use.   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: 24 Click here to view publication 24   average usual ppm average maximum ppm baked goods: - - beverages(nonalcoholic): 0.02000 1.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 0.06000 1.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - 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: 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 :15146 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 methyl 3-hydroxybutanoate Chemidplus:0001487496 RTECS:ET4700000 for cas# 1487-49-6   References:   methyl 3-hydroxybutanoate NIST Chemistry WebBook: Search Inchi Pubchem (cid): 15146 Pubchem (sid): 134981182 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 FDA Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): HMDB41603 FooDB: FDB021758 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View FAO: Methyl 3-hydroxybutyrate   Potential Blenders and core components note For Odor animal methyl (E)-2-octenoate FL/FR balsamic iso amyl benzoate FL/FR citrus 2- heptanol FL/FR ethereal cyclohexyl formate FL/FR fatty 3- decen-2-one FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR floral boronia absolute FL/FR citronellyl valerate FL/FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR (E)- geranyl acetone FL/FR geranyl formate FL/FR geranyl isobutyrate FL/FR hexyl lactate FL/FR hexyl nonanoate FL/FR (Z)- jasmone FL/FR para- methyl benzyl acetate FL/FR papaya isobutyrate FL/FR fruity allyl butyrate FL/FR iso amyl 2-methyl butyrate FL/FR iso amyl butyrate FL/FR iso amyl valerate FL/FR apple ketal FL/FR iso butyl octanoate FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR cinnamyl hexanoate FL/FR 2- cyclopentyl cyclopentanone FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-3-hexenoate FL/FR ethyl 2-hexenoate FL/FR ethyl 2-octenoate FL/FR ethyl acetoacetate FL/FR ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FL/FR ethyl isovalerate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E,E)- ethyl sorbate FL/FR geranyl ethyl ether FL/FR geranyl isovalerate FL/FR 2- heptyl butyrate FL/FR heptyl isobutyrate FL/FR 2- hexen-1-ol FL/FR (E)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl anthranilate 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 hexyl valerate FL/FR methyl 2-methyl butyrate FL/FR methyl heptanoate FL/FR methyl octadienoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR octen-1-yl cyclopentanone FL/FR octyl butyrate FL/FR 2- pentyl furan FL/FR 3- phenyl propyl hexanoate FL/FR 4- phenyl-2-butyl acetate FL/FR pineapple pentenoate FL/FR prenyl hexanoate FL/FR (E,E)- sorbyl butyrate FL/FR sorbyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical thiazole FL/FR tropical trithiane FL/FR green acetaldehyde benzyl 2-methoxyethyl acetal FL/FR actinidia chinensis fruit extract FL/FR black currant bud absolute replacer FL/FR alpha- decalactone FL/FR ethyl (E)-2-decenoate FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-4-decenoate FL/FR green note propionate FL/FR hexanal dimethyl acetal FL/FR (Z)-3- hexen-1-yl (E)-2-hexenoate FL/FR (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate FL/FR (E)-2- hexen-1-yl propionate FL/FR (E)-2- hexen-1-yl valerate FL/FR (Z)-3- hexen-1-yl valerate FL/FR (E)-2- hexenal propylene glycol acetal FL/FR 3- hexenyl acetate FL/FR hexyl isobutyrate FL/FR hexyl octanoate FL/FR manzanate (Givaudan) FL/FR methyl (E)-3-hexenoate FL/FR (E)-2- pentenal FL/FR 2- pentenal FL/FR propylene acetal FL/FR sorbyl isobutyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR thiogeraniol FL/FR herbal (1S,5R)- myrtenyl acetate FL/FR 2- pentyl acetate FL/FR tagete oil india FL/FR viridiflorol FL/FR minty carvyl acetate FL/FR spicy cinnamyl propionate FL/FR sulfurous 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR waxy (E)- methyl geranate FL/FR octyl 2-methyl butyrate FL/FR winey methyl 3-acetoxyoctanoate FL/FR For Flavor No flavor group found for these acetaldehyde benzyl 2-methoxyethyl acetal FL/FR actinidia chinensis fruit juice FL allyl levulinate FL allyl tiglate FL iso butyl octanoate FL/FR cinnamyl hexanoate FL/FR citronellyl valerate FL/FR 2- cyclopentyl cyclopentanone FL/FR alpha- decalactone FL/FR 9- decen-2-one FL 2,5- diethyl-4-propyl thiazole FL ethyl 2-(methyl thio) acetate FL ethyl 2-hexenoate FL/FR ethyl bicyclo(2.2.1)-5-heptene-2-carboxylate FL/FR geranyl ethyl ether FL/FR 2- heptyl butyrate FL/FR hexanal dimethyl acetal FL/FR (E)-3- hexenal FL 2- hexenal FL 2- hexenal diethyl acetal FL (E)-2- hexenal propylene glycol acetal FL/FR 3- hexenyl acetate FL/FR hexyl (E)-2-hexenoate FL hexyl nonanoate FL/FR hexyl propionate FL/FR hexyl valerate FL/FR methyl (E)-2-hexenoate FL/FR methyl 2-hexenoate FL/FR methyl 3-acetoxyoctanoate FL/FR 4- methyl 4-mercaptopentan-2-one 1% solution FL/FR (E)- methyl geranate FL/FR methyl octadienoate FL/FR 2- methyl-3-heptanone FL (E,E)-3,5- octadien-2-one FL 3- octyl butyrate FL 2- pentenal FL/FR 4- phenyl-2-butyl acetate FL/FR prenyl hexanoate FL/FR propylene acetal FL/FR (E,E)- sorbyl butyrate FL/FR (E,E)- sorbyl isobutyrate FL/FR viridiflorol FL/FR sorbyl isobutyrate FL/FR alliaceous alliaceous tropical thiazole FL/FR berry heptyl isobutyrate FL/FR cooling manzanate (Givaudan) FL/FR creamy 2,4- heptadienal FL dairy 2- pentyl acetate FL/FR earthy 1- hexen-3-yl acetate FL estery ethyl acetoacetate FL/FR fatty ethyl (E)-4-decenoate FL/FR floral cinnamyl propionate FL/FR dihydrocarvyl acetate FL/FR (±)-2,3- dihydrofarnesol FL/FR (E)- geranyl acetone FL/FR geranyl isobutyrate FL/FR (Z)-3- hexen-1-yl anthranilate FL/FR fruity iso amyl 2-methyl butyrate FL/FR iso amyl benzoate FL/FR iso amyl valerate FL/FR apple ketal FL/FR boronia absolute FL/FR iso butyl propionate FL/FR cherry pentenoate FL/FR black currant bud absolute replacer FL/FR diethyl malonate FL/FR dimethyl succinate FL/FR ethyl (E)-2-decenoate FL/FR ethyl (E)-2-hexenoate FL/FR ethyl (E)-3-hexenoate FL/FR ethyl 2-octenoate FL/FR ethyl isovalerate FL/FR ethyl levulinate FL/FR ethyl methyl-para-tolyl glycidate FL/FR (E,E)- ethyl sorbate FL/FR 2- heptanol 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 hexyl lactate FL/FR kiwi distillates FL methyl (E)-2-octenoate FL/FR methyl 2-methyl butyrate FL/FR para- methyl benzyl acetate FL/FR methyl heptanoate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR (Z)-3- nonen-1-yl acetate FL (Z)-5- octen-1-yl acetate FL octen-1-yl cyclopentanone FL/FR 3- phenyl propyl hexanoate FL/FR pineapple pentenoate FL/FR sorbyl butyrate FL/FR tetrahydrofurfuryl butyrate FL/FR tropical trithiane FL/FR green actinidia chinensis fruit extract FL/FR allyl butyrate FL/FR cyclohexyl formate FL/FR 3- decen-2-one FL/FR geranyl formate FL/FR geranyl isovalerate FL/FR green note propionate FL/FR (E,E)-2,4- hexadienal FL (Z)-3- hexen-1-yl 2-methyl butyrate FL/FR (Z)-3- hexen-1-yl acetate FL/FR (Z)-3- hexen-1-yl hexanoate FL/FR (Z)-3- hexen-1-yl isovalerate 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 hexyl (E)-tiglate FL/FR hexyl isobutyrate FL/FR hexyl isovalerate FL/FR hexyl octanoate FL/FR methyl (E)-3-hexenoate FL/FR methyl 2-undecynoate FL 4- methyl-2-pentenal FL papaya isobutyrate FL/FR (E)-2- pentenal FL/FR 2- pentyl furan FL/FR thiogeraniol FL/FR herbal tagete oil india FL/FR minty carvyl acetate FL/FR pungent acetaldehyde FL sour 3- methyl valeric acid FL waxy iso amyl butyrate FL/FR octyl 2-methyl butyrate FL/FR octyl butyrate FL/FR woody (Z)- jasmone FL/FR (1S,5R)- myrtenyl acetate FL/FR   Potential Uses: None Found   Occurrence (nature, food, other):note   cyphomandra betacea sendtn. Search Trop Picture   pineapple fruit Search Trop Picture   solanum vestissimum Search Trop Picture   zygopetalum crinitum Search Trop Picture   Synonyms:   butanoic acid, 3-hydroxy-, methyl ester   butanoic acid,3-hydroxy-, methyl ester   butyric acid, 3-hydroxy-, methyl ester 3- hydroxybutyric acid methyl ester   methyl 3-hydroxybutanoate   methyl-3-hydroxybutyrate   Articles:   None found yet. Try the PubMed Search.

Notes: Constit. of pineapple; Flavouring ingredient [CCD]