pineapple hydroxyhexanoate
methyl 3-hydroxyhexanoate

Sponsors

Name: methyl 3-hydroxyhexanoate
CAS Number: 21188-58-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 244-261-0
FDA UNII: 8H646ZUC4E
Nikkaji Web: J140.275G
MDL: MFCD00083583
CoE Number: 10812
XlogP3-AA: 0.70 (est)
Molecular Weight: 146.18618000
Formula: C7 H14 O3
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated methyl 3-hydroxyhexanoate (CASrn as in Register). (R)- or (S)- enantiomer not specified by Register CASrn.
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
JECFA Food Flavoring: 600 methyl 3-hydroxyhexanoate
Flavis Number: 09.532 (Old)
DG SANTE Food Flavourings: 09.532 methyl 3-hydroxyhexanoate
FEMA Number: 3508 methyl 3-hydroxyhexanoate
FDA Mainterm: METHYL 3-HYDROXYHEXANOATE
 
Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 220.00 to 221.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.020000 mm/Hg @ 25.00 °C. (est)
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): 0.607 (est)
Soluble in:
 alcohol
 water, 5.298e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 fat
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 sweet woody ripe fruity pineapple juicy oily
Odor Description:
at 10.00 % in dipropylene glycol.
sweet woody ripe fruity pineapple juicy oily
 sweet woody fruit overripe fruit estery pineapple woody tropical
Odor Description:
Sweet, woody, overripe, fruity, estry and pineapple-like with woody tropical nuances
Mosciano, Gerard P&F 21, No. 4, 51, (1996)
Flavor Type: fruity
 sweet fruity fruit overripe fruit pineapple tropical woody
Taste Description:
at 5.00 ppm.
Sweet, fruity, overripe, pineapple and tropical with woody nuances
Mosciano, Gerard P&F 21, No. 4, 51, (1996)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Apiscent Labs
METHYL 3 HYDROXY HEXANOATE
Odor: Powerful winey, ethereal, fruity
BOC Sciences
For experimental / research use only.
Hexanoic acid,3-hydroxy-, methyl ester
FCI SAS
METHYL-3-HYDROXY HEXANOATE
Odor: Powerful winey odor, somewhat juicy
Inoue Perfumery
METHYL 3-HYDROXY HEXANOATE
M&U International
METHYL-3-HYDROXYHEXANOATE, Kosher
Penta International
METHYL 3-HYDROXYHEXANOATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Methyl 3-Hydroxyhexanoate
Sigma-Aldrich
Methyl 3-hydroxyhexanoate, ≥97%, FG
Odor: oily; fruity; wine-like; ethereal
Certified Food Grade Products
Sunaux International
Methyl-3-hydroxyhexanoate
Synerzine
Methyl 3-hydroxyhexanoate
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
R 41 - Risk of serious damage to 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 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for pineapple hydroxyhexanoate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.85 (μg/capita/day)
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: 10
 average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): -1.00000
breakfast cereal: -5.00000
cheese: --
chewing gum: -1.00000
condiments / relishes: --
confectionery froastings: -1.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -1.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 21188-58-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 519845
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 methyl 3-hydroxyhexanoate
Chemidplus: 0021188589
 
References:
Leffingwell: Chirality or Article
 methyl 3-hydroxyhexanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 21188-58-9
Pubchem (cid): 519845
Pubchem (sid): 135263323
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): HMDB39407
FooDB: FDB018982
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: Methyl 3-hydroxyhexanoate
 
Potential Blenders and core components note
For Odor
animal
methyl (E)-2-octenoate
FL/FR
balsamic
iso
bornyl propionate
FL/FR
fir carboxylate
FR
scotch
pine wood/needles resinoid
FR
berry
raspberry ketone methyl ether
FL/FR
bready
furfural
FL/FR
caramellic
maltyl isobutyrate
FL/FR
chemical
propyl propionate
FL/FR
fatty
allyl octanoate
FL/FR
hexyl pivalate
FR
methyl 2-hexenoate
FL/FR
floral
anise indene
FR
benzaldehyde propylene glycol acetal
FL/FR
boronia absolute
FL/FR
bursera graveolens wood oil
FL/FR
citronellyl acetate
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
ionone mixed isomers
FL/FR
linalyl propionate
FL/FR
N-
methyl ionone
FR
beta-
ocimene
FL/FR
(Z)-beta-
ocimene
FL/FR
phenethyl acetate
FL/FR
fruity
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
allyl sorbate
FL/FR
(E,E)-
allyl sorbate
FL/FR
amyl butyrate
FL/FR
amyl propionate
FL/FR
iso
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
bisabolene
FL/FR
buchu wood specialty
FL/FR
iso
butyl 2-butenoate
FL/FR
iso
butyl butyrate
FL/FR
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
cyclohexyl hexanoate
FL/FR
1-(3,3-
dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde
FR
1,4-
dimethyl bicyclo(3.2.1)oct-3-yl acetate
FR
1,2-
dimethyl butyl 2-butenoate
FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
trans-1-
ethyl-2-methyl propyl 2-butenoate
FL/FR
geranyl acetoacetate
FL/FR
green acetate
FR
heptyl isovalerate
FL/FR
hexyl isovalerate
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl (Z)-5-octenoate
FL/FR
2-
methyl butyl acetate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
octyl propionate
FL/FR
2-
pentanone
FL/FR
perillyl acetate
FL/FR
pineapple pentenoate
FL/FR
propyl heptanoate
FL/FR
iso
propyl hexanoate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
tropical dienoate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum oxyacetate
FR
galbascone (IFF)
FR
heptanal dimethyl acetal
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
1-
penten-3-ol
FL/FR
pineapple heptadienone 10%
FR
herbal
iso
amyl heptanoate
FL/FR
anthemis nobilis flower extract
FL/FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
herbal specialty
FR
herbal undecanone
FR
methyl cyclogeranate (Firmenich)
FR
tricyclodecenyl propionate
FR
viridiflorol
FL/FR
spicy
N,N-
diethyl octanamide
FR
green oxane
FR
alpha-
methyl cinnamaldehyde
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
ethyl methyl mercaptopropionate
FL/FR
mango thiol
FL/FR
passiflora acetate
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
waxy
orris rhizome oil CO2 extract
FL/FR
woody
melozol acetate
FR
spicy pentanone
FL/FR
1-(5',5',6'-
trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one
FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
allyl 10-undecenoate
FL/FR
allyl 3,5,5-trimethyl hexanoate
FL/FR
allyl cinnamate
FL/FR
allyl cyclohexyl butyrate
FL/FR
allyl sorbate
FL/FR
(E,E)-
allyl sorbate
FL/FR
iso
amyl 3-methyl thiopropionate
FL
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
buchu wood specialty
FL/FR
bursera graveolens wood oil
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl 3-octenoate
FL
ethyl cyclohexane propionate
FL/FR
trans-1-
ethyl-2-methyl propyl 2-butenoate
FL/FR
heptyl isovalerate
FL/FR
ionone mixed isomers
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-hexenoate
FL/FR
iso
propyl hexanoate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
sorbyl propionate
FL
viridiflorol
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
balsamic
iso
bornyl propionate
FL/FR
berry
perillyl acetate
FL/FR
raspberry ketone methyl ether
FL/FR
brown
furfural
FL/FR
citrus
bisabolene
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
estery
octyl propionate
FL/FR
fatty
allyl octanoate
FL/FR
floral
citronellyl acetate
FL/FR
tropical ionone
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
amyl butyrate
FL/FR
iso
amyl propionate
FL/FR
benzaldehyde propylene glycol acetal
FL/FR
boronia absolute
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
furfuryl valerate
FL
methyl (E)-2-octenoate
FL/FR
2-
methyl butyl acetate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
2-
pentanone
FL/FR
pineapple pentenoate
FL/FR
propyl hexanoate
FL/FR
propyl isobutyrate
FL/FR
spicy pentanone
FL/FR
tropical dienoate
FL/FR
green
iso
butyl 2-butenoate
FL/FR
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
(E)-2-
hexen-1-yl butyrate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl isovalerate
FL/FR
(Z)-beta-
ocimene
FL/FR
beta-
ocimene
FL/FR
1-
penten-3-ol
FL/FR
herbal
iso
amyl heptanoate
FL/FR
anthemis nobilis flower extract
FL/FR
linalyl propionate
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
musty
geranyl acetoacetate
FL/FR
spicy
alpha-
methyl cinnamaldehyde
FL/FR
sulfurous
buchu mercaptan
FL/FR
ethyl methyl mercaptopropionate
FL/FR
mango thiol
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl 4-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
passiflora acetate
FL/FR
pina colada flavor
FL
propyl propionate
FL/FR
vegetable
2-
octen-4-one
FL/FR
waxy
propyl heptanoate
FL/FR
woody
orris rhizome oil CO2 extract
FL/FR
 
Potential Uses:
 appleFR
 citrusFR
 fruit juicy fruit 
 jam 
 pineappleFR
 strawberryFR
 tropicalFL
 wineFR
 
Occurrence (nature, food, other): note
 naranjilla fruit
Search Trop Picture
 orange fruit juice
Search Trop Picture
 passion fruit juice
Search Trop Picture
 strawberry jam
Search Picture
 wood apple
Search Picture
 
Synonyms:
 hexanoic acid, 3-hydroxy-, methyl ester
3-hydroxyhexanoic acid methyl ester
 methyl 3 hydroxy hexanoate
 methyl 3-hydroxy hexanoate
 methyl 3-hydroxycaproate
 methyl 3-hydroxyhexanoate
 methyl b-hydroxycaproate
 methyl b-hydroxyhexanoate
 methyl beta-hydroxycaproate
 methyl beta-hydroxyhexanoate
 methyl-3-hydroxyhexanoate
 
 
Notes:
Flavouring ingredient
 
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