methyl 3-hydroxybutyrate
methyl 3-hydroxybutanoate
 
Notes:
Constit. of pineapple; Flavouring ingredient [CCD]
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      1487-49-6 Methyl 3-hydroxybutyrate
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      13-52000 METHYL-3-HYDROXYBUTYRATE
       
  • Sigma-Aldrich
Synonyms   Articles   Notes   Search
CAS Number: 1487-49-6Picture of molecule3D/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 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
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
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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
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Organoleptic Properties:
 
Odor Type: apple
 
Odor Strength: medium
 
 fruity  green  apple  winey  
Odor Description:
at 100.00 %. 
mild fruity green apple winey
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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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%
Certified Food Grade Products
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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
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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 ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.020001.00000
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: 0.060001.00000
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: --
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Safety References:
EPI System: View
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
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References:
 methyl 3-hydroxybutanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 15146
Pubchem (sid): 134981182
Pherobase: View
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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
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Potential Blenders and core components note
 
For Odor
animal
animal
 methyl (E)-2-octenoateFL/FR
balsamic
isoamyl benzoateFL/FR
citrus
2-heptanolFL/FR
 cyclohexyl formateFL/FR
fatty
3-decen-2-oneFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
floral
 boronia absoluteFL/FR
 citronellyl valerateFL/FR
 dihydrocarvyl acetateFL/FR
(±)-2,3-dihydrofarnesolFL/FR
(E)-geranyl acetoneFL/FR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 hexyl lactateFL/FR
 hexyl nonanoateFL/FR
(Z)-jasmoneFL/FR
para-methyl benzyl acetateFL/FR
 papaya isobutyrateFL/FR
fruity
 allyl butyrateFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl butyrateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
isobutyl octanoateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cinnamyl hexanoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl acetoacetateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
 geranyl ethyl etherFL/FR
 geranyl isovalerateFL/FR
2-heptyl butyrateFL/FR
 heptyl isobutyrateFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl octadienoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
2-pentyl furanFL/FR
3-phenyl propyl hexanoateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenyl hexanoateFL/FR
(E,E)-sorbyl butyrateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 actinidia chinensis fruit extractFL/FR
black currant bud absolute replacerFL/FR
alpha-decalactoneFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green note propionateFL/FR
 hexanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 manzanate (Givaudan)FL/FR
 methyl (E)-3-hexenoateFL/FR
2-pentenalFL/FR
(E)-2-pentenalFL/FR
 propylene acetalFL/FR
 sorbyl isobutyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
 thiogeraniolFL/FR
herbal
(1S,5R)-myrtenyl acetateFL/FR
2-pentyl acetateFL/FR
 tagete oil indiaFL/FR
 viridiflorolFL/FR
minty
 carvyl acetateFL/FR
spicy
 cinnamyl propionateFL/FR
sulfurous
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
winey
 methyl 3-acetoxyoctanoateFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 actinidia chinensis fruit juiceFL
 allyl levulinateFL
 allyl tiglateFL
isobutyl octanoateFL/FR
 cinnamyl hexanoateFL/FR
 citronellyl valerateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
9-decen-2-oneFL
2,5-diethyl-4-propyl thiazoleFL
(±)-2,3-dihydrofarnesolFL/FR
 ethyl 2-(methyl thio) acetateFL
 ethyl 2-hexenoateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 geranyl ethyl etherFL/FR
2-heptyl butyrateFL/FR
 hexanal dimethyl acetalFL/FR
2-hexenalFL
(E)-3-hexenalFL
2-hexenal diethyl acetalFL
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl nonanoateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 3-acetoxyoctanoateFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
(E)-methyl geranateFL/FR
 methyl octadienoateFL/FR
2-methyl-3-heptanoneFL
(E,E)-3,5-octadien-2-oneFL
3-octyl butyrateFL
2-pentenalFL/FR
4-phenyl-2-butyl acetateFL/FR
 prenyl hexanoateFL/FR
 propylene acetalFL/FR
(E,E)-sorbyl butyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
 viridiflorolFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 tropical thiazoleFL/FR
berry
 heptyl isobutyrateFL/FR
cooling
 manzanate (Givaudan)FL/FR
creamy
2,4-heptadienalFL
dairy
2-pentyl acetateFL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
floral
 cinnamyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
fruity
isoamyl 2-methyl butyrateFL/FR
isoamyl benzoateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 boronia absoluteFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
black currant bud absolute replacerFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
2-heptanolFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 hexyl lactateFL/FR
 kiwi distillatesFL
 methyl (E)-2-octenoateFL/FR
 methyl 2-methyl butyrateFL/FR
para-methyl benzyl acetateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
(Z)-3-nonen-1-yl acetateFL
(Z)-5-octen-1-yl acetateFL
 octen-1-yl cyclopentanoneFL/FR
3-phenyl propyl hexanoateFL/FR
 pineapple pentenoateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical trithianeFL/FR
green
 actinidia chinensis fruit extractFL/FR
 allyl butyrateFL/FR
 cyclohexyl formateFL/FR
3-decen-2-oneFL/FR
 geranyl formateFL/FR
 geranyl isovalerateFL/FR
 green note propionateFL/FR
(E,E)-2,4-hexadienalFL
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl (E)-3-hexenoateFL/FR
 methyl 2-undecynoateFL
4-methyl-2-pentenalFL
 papaya isobutyrateFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
herbal
 tagete oil indiaFL/FR
minty
 carvyl acetateFL/FR
 thiogeraniolFL/FR
pungent
 acetaldehydeFL
sour
3-methyl valeric acidFL
waxy
isoamyl butyrateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
woody
(Z)-jasmoneFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
None Found
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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
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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
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Articles:
 None found yet.
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