EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl 3-hydroxybutyrate
methyl 3-hydroxybutanoate

Sponsors

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: 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 mm/Hg @ 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
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).
 
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, Kosher, Halal
Sigma-Aldrich
Methyl 3-hydroxybutyrate, ≥95%
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
 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: --
 
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
 
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 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (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)-2-decenoate
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-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
2-
pentenal
FL/FR
(E)-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
(±)-2,3-
dihydrofarnesol
FL/FR
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
2-
hexenal
FL
(E)-3-
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
(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
herbal
tagete oil india
FL/FR
minty
carvyl acetate
FL/FR
thiogeraniol
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.
 
Notes:
Constit. of pineapple; Flavouring ingredient [CCD]
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy