pineapple hydroxyhexanoate
methyl 3-hydroxyhexanoate
 
Notes:
Flavouring ingredient
  • Augustus Oils
    • Augustus Oils Ltd
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      Methyl 3 Hydroxy Hexanoate
       
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      21188-58-9 Hexanoic acid,3-hydroxy-, methyl ester
       
  • FCI SAS
    • FCI SAS
      Inspired by Nature
      At FCI customer service is not a department it’s an attitude.
      Our team is composed of motivated professionals with great experience in the flavours and fragrances market. Our company has been serving this industry for more than 40 years and is ISO 9001 certified since 2009 . Whatever your question on flavour and fragrance ingredients: commercial, technical or regulatory – we will answer it very quickly.
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      12902 METHYL-3-HYDROXY HEXANOATE
       
  • M&U International
    • M&U International LLC
      Steady supply & demand
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      M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers.
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      A0111 Methyl-3-hydroxyhexanoate, Kosher
       
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      13-52200 METHYL 3-HYDROXYHEXANOATE
       
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      We have industry leading processes and procedures to ensure nothing but the most reliable product.
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Synonyms   Articles   Notes   Search
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):21188-58-9 ; METHYL 3-HYDROXYHEXANOATE
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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 mmHg @ 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
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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).
 
Kingchem Laboratories
METHYL 3 HYDROXY HEXANOATE
Odor Description: Powerful winey, ethereal, fruity
 
FCI SAS
METHYL-3-HYDROXY HEXANOATE
Odor Description: Powerful winey odor, somewhat juicy
 
 
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Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Augustus Oils
Methyl 3 Hydroxy Hexanoate
Services
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
Kingchem Laboratories
METHYL 3 HYDROXY HEXANOATE
Odor: Powerful winey, ethereal, fruity
M&U International
Methyl-3-hydroxyhexanoate, Kosher
Penta International
METHYL 3-HYDROXYHEXANOATE
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
WholeChem
Methyl 3-hydroxyhexanoate
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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
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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
Click here to view publication 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: --
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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
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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
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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 Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB39407
FooDB: FDB018982
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: Methyl 3-hydroxyhexanoate
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
animal
animal
 methyl (E)-2-octenoateFL/FR
balsamic
isobornyl propionateFL/FR
 fir carboxylateFR
 juniper berry oil CO2 extractFL/FR
scotch pine wood/needles resinoidFR
 tolu balsam replacerFR
berry
 raspberry ketone methyl etherFL/FR
bready
 furfuralFL/FR
caramellic
 maltyl isobutyrateFL/FR
chemical
 propyl propionateFL/FR
earthy
 orris specialtyFR
fatty
 allyl octanoateFL/FR
 hexyl pivalateFR
 methyl 2-hexenoateFL/FR
floral
 anise indeneFR
 benzaldehyde propylene glycol acetalFL/FR
 boronia absoluteFL/FR
 boronia absolute replacerFL/FR
 boronia fragranceFR
 bursera graveolens wood oilFL/FR
 citronellyl acetateFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 ionone mixed isomersFL/FR
 linalyl propionateFL/FR
N-methyl iononeFR
(Z)-beta-ocimeneFL/FR
beta-ocimeneFL/FR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
 orris fragranceFR
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
 phenethyl acetateFL/FR
fruity
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 allyl sorbateFL/FR
(E,E)-allyl sorbateFL/FR
 amyl butyrateFL/FR
 amyl propionateFL/FR
isoamyl propionateFL/FR
 benzyl ethyl etherFL/FR
 bisaboleneFL/FR
 brandy extractFL/FR
 buchu wood specialtyFL/FR
isobutyl 2-butenoateFL/FR
 butyl butyrateFL/FR
isobutyl butyrateFL/FR
isobutyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
 cyclohexyl hexanoateFL/FR
1-(3,3-dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehydeFR
1,4-dimethyl bicyclo(3.2.1)oct-3-yl acetateFR
1,2-dimethyl butyl 2-butenoateFR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
trans-1-ethyl-2-methyl propyl 2-butenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
1-ethyl-2-methyl propyl tiglate 
 geranyl acetoacetateFL/FR
 geranyl methyl tiglate 
 green acetateFR
 heptyl isovalerateFL/FR
 hexyl isovalerateFL/FR
alpha-ionyl ethyl ether 
 juicy fruit fragranceFR
 kiwi fragranceFR
 kiwi specialtyFR
 methyl (Z)-4-octenoateFL/FR
 methyl (Z)-5-octenoateFL/FR
2-methyl butyl acetateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
 octyl propionateFL/FR
 pear fragranceFR
 pear specialtyFR
2-pentanoneFL/FR
 perillyl acetateFL/FR
 pineapple fragranceFR
 pineapple pentenoateFL/FR
 propyl heptanoateFL/FR
isopropyl hexanoateFL/FR
 propyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane 
 tropical dienoateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbanum oxyacetateFR
 galbascone (IFF)FR
 heptanal dimethyl acetalFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
1-penten-3-olFL/FR
 pineapple heptadienone 10%FR
herbal
isoamyl heptanoateFL/FR
 anthemis nobilis flower extractFL/FR
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
 bursera graveolens wood 
 herbal specialtyFR
 herbal undecanoneFR
 methyl cyclogeranate (Firmenich)FR
beta-sesquiphellandrene 
 tricyclodecenyl propionateFR
 viridiflorolFL/FR
spicy
 clove bud absoluteFL/FR
 clove bud oilFL/FR
 clove bud oil replacerFR
 clove fragranceFR
N,N-diethyl octanamideFR
 green oxaneFR
alpha-methyl cinnamaldehydeFL/FR
 pepper tree berry oil CO2 extractFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 ethyl methyl mercaptopropionateFL/FR
 mango thiolFL/FR
 passiflora acetateFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
waxy
 orris rhizome oil CO2 extractFL/FR
woody
 juniper berry oleoresinFL/FR
 melozol acetateFR
 myrtenyl isobutyrate 
2-N-propoxy-3(5)-methyl pyrazine 
 spicy pentanoneFL/FR
1-(5',5',6'-trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-oneFR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 allyl 10-undecenoateFL/FR
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl butyrateFL/FR
(E,E)-allyl sorbateFL/FR
 allyl sorbateFL/FR
isoamyl 3-methyl thiopropionateFL
 amyl propionateFL/FR
 benzyl ethyl etherFL/FR
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
 boronia absolute replacerFL/FR
 buchu wood specialtyFL/FR
 bursera graveolens wood 
 bursera graveolens wood oilFL/FR
 cyclohexyl hexanoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 3-octenoateFL
 ethyl cyclohexane propionateFL/FR
trans-1-ethyl-2-methyl propyl 2-butenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
1-ethyl-2-methyl propyl tiglate 
 heptyl isovalerateFL/FR
 ionone mixed isomersFL/FR
alpha-ionyl ethyl ether 
 methyl (Z)-4-octenoateFL/FR
 methyl 2-hexenoateFL/FR
 myrtenyl isobutyrate 
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
beta-sesquiphellandrene 
2-N-propoxy-3(5)-methyl pyrazine 
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
isopropyl isovalerateFL/FR
 sorbyl propionateFL
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane 
 viridiflorolFL/FR
alliaceous
 tropical thiazoleFL/FR
balsamic
isobornyl propionateFL/FR
 juniper berry oil CO2 extractFL/FR
berry
 perillyl acetateFL/FR
 raspberry ketone methyl etherFL/FR
brown
 furfuralFL/FR
citrus
 bisaboleneFL/FR
dairy
 methyl (Z)-5-octenoateFL/FR
estery
 octyl propionateFL/FR
fatty
 allyl octanoateFL/FR
floral
 citronellyl acetateFL/FR
 orris flavorFL
 tropical iononeFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl heptanoateFL/FR
 allyl hexanoateFL/FR
 amyl butyrateFL/FR
isoamyl propionateFL/FR
 benzaldehyde propylene glycol acetalFL/FR
 boronia absoluteFL/FR
 brandy extractFL/FR
isobutyl butyrateFL/FR
 butyl butyrateFL/FR
isobutyl hexanoateFL/FR
isobutyl isobutyrateFL/FR
 butyl isovalerateFL/FR
 butyl valerateFL/FR
 cinnamyl isobutyrateFL/FR
 ethyl (Z)-4-octenoateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 furfuryl valerateFL
 geranyl methyl tiglate 
 methyl (E)-2-octenoateFL/FR
2-methyl butyl acetateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
2-pentanoneFL/FR
 pineapple pentenoateFL/FR
 propyl hexanoateFL/FR
 propyl isobutyrateFL/FR
 spicy pentanoneFL/FR
 tropical dienoateFL/FR
green
isobutyl 2-butenoateFL/FR
 cassis pentanoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl isovalerateFL/FR
beta-ocimeneFL/FR
(Z)-beta-ocimeneFL/FR
1-penten-3-olFL/FR
herbal
isoamyl heptanoateFL/FR
 anthemis nobilis flower extractFL/FR
 linalyl propionateFL/FR
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
musty
 geranyl acetoacetateFL/FR
spicy
 clove bud absoluteFL/FR
 clove bud oilFL/FR
alpha-methyl cinnamaldehydeFL/FR
 pepper tree berry oil CO2 extractFL/FR
sulfurous
 buchu mercaptanFL/FR
 ethyl methyl mercaptopropionateFL/FR
 mango thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl 4-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
 tropical 3-thiobutyrateFL/FR
sweet
 orris rhizome absolute (iris germanica)FL/FR
 orris rhizome absolute (iris pallida)FL/FR
tropical
 passiflora acetateFL/FR
 pina colada flavorFL
 propyl propionateFL/FR
vegetable
2-octen-4-oneFL/FR
waxy
 propyl heptanoateFL/FR
woody
 juniper berry oleoresinFL/FR
 orris rhizome oil CO2 extractFL/FR
 
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Potential Uses:
 appleFR
 citrusFR
 fruit juicy fruitFR
 jam 
 pineappleFR
 strawberryFR
 tropicalFL
 wineFR
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Occurrence (nature, food, other): note
 naranjilla fruit
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 orange fruit juice
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 passion fruit juice
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 strawberry jam
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 wood apple
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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
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Synonyms   Articles   Notes   Search   Top
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