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

isopropyl hexanoate
hexanoic acid, isopropyl ester

Sponsors

Name:propan-2-yl hexanoate
CAS Number: 2311-46-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-000-9
FDA UNII:84AO2UI60U
Nikkaji Web:J149.309D
MDL:MFCD00059436
CoE Number:312
XlogP3-AA:2.80 (est)
Molecular Weight:158.24086000
Formula:C9 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
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:308 isopropyl hexanoate
FLAVIS Number:09.062 (Old)
DG SANTE Food Flavourings:09.062 isopropyl hexanoate
FEMA Number:2950 isopropyl hexanoate
FDA Mainterm: ISOPROPYL HEXANOATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 172.00 to 173.00 °C. @ 760.00 mm Hg
Boiling Point: 74.00 °C. @ 20.00 mm Hg
Vapor Pressure:1.090000 mm/Hg @ 25.00 °C. (est)
Flash Point: 120.00 °F. TCC ( 48.89 °C. )
logP (o/w): 3.177 (est)
Soluble in:
 alcohol
 water, 117.8 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl hexanoate
allyl thiohexanoate
amyl hexanoate
isoamyl hexanoate
para-anisyl hexanoate
benzyl hexanoate
butyl hexanoate
isobutyl hexanoate
sec-butyl hexanoate
cinnamyl hexanoate
citronellyl hexanoate
meta-cresyl hexanoate
para-cresyl hexanoate
cyclohexyl hexanoate
decyl hexanoate
dimethyl benzyl carbinyl hexanoate
ethyl 2-acetyl hexanoate
ethyl hexanoate
furfuryl hexanoate
geranyl hexanoate
heptyl hexanoate
sec-heptyl hexanoate
(E)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
hexyl hexanoate
linalyl hexanoate
menthyl hexanoate
3-mercaptohexyl hexanoate
2-methyl butyl hexanoate
methyl hexanoate
methyl thiohexanoate
neryl hexanoate
octyl hexanoate
(Z)-2-penten-1-yl hexanoate
phenethyl hexanoate
3-phenyl propyl hexanoate
prenyl hexanoate
propyl hexanoate
sulfuryl hexanoate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
fruity pineapple loganberry berry
Odor Description:at 10.00 % in dipropylene glycol. fruity pineapple loganberry berry
">berry
Taste Description: berry
Odor and/or flavor descriptions from others (if found).
Ernesto Ventós
IsoPROPYL HEXANOATE
Odor Description:SWEET, FRUITY. PINEAPPLE
Taste Description:berry
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoPropyl Hexanoate
ECSA Chemicals
isoPropyl Caproate
Company Profile
Ernesto Ventós
IsoPROPYL HEXANOATE
Odor: SWEET, FRUITY. PINEAPPLE
Frutarom
isoPROPYL HEXANOATE
Grau Aromatics
iso-PROPYL-CAPROATE (iso-PROPYLHEXANOATE)
NI, Kosher
Inoue Perfumery
isoPROPYL HEXANOATE
Lluch Essence
isoPROPYL CAPROATE 98%
Odor: FRUITY, BERRY, SWEET
Penta International
ISOPROPYL CAPROATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
isoPropyl Hexanoate
SRS Aromatics
isoPROPYL CAPROATE
Synerzine
isoPropyl Hexanoate
TCI AMERICA
For experimental / research use only.
isoPropyl Hexanoate >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 isopropyl hexanoate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.20 (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: 3
 average usual ppmaverage maximum ppm
baked goods: 20.0000040.00000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 5.5000010.00000
fruit ices: 5.5000010.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 20.0000040.00000
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:
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) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf
Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16832
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
propan-2-yl hexanoate
Chemidplus:0002311468
 
References:
 propan-2-yl hexanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2311-46-8
Pubchem (cid):16832
Pubchem (sid):134982702
Flavornet:2311-46-8
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):HMDB40430
FooDB:FDB020163
Export Tariff Code:2915.90.5050
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-5-
nonen-2-one
FL/FR
alliaceous
alliaceous
methyl furfuryl disulfide
FL/FR
amber
ambrette seed absolute
FL/FR
animal
methyl (E)-2-octenoate
FL/FR
caramellic
maltyl isobutyrate
FL/FR
cheesy
heptanoic acid
FL/FR
chemical
propyl propionate
FL/FR
ethereal
propyl formate
FL/FR
propyl valerate
FL/FR
fatty
allyl decanoate
FL/FR
allyl octanoate
FL/FR
methyl 2-hexenoate
FL/FR
fermented
valeraldehyde
FL/FR
floral
alpha-
damascone
FL/FR
geranyl valerate
FL/FR
beta-
ionone
FL/FR
nerolin fragarol
FL/FR
rose carboxylate
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 hexanoate
FL/FR
amyl propionate
FL/FR
benzyl butyrate
FL/FR
benzyl ethyl ether
FL/FR
3-
benzyl-4-heptanone
FL/FR
berry hexanoate
FR
iso
butyl 2-butenoate
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
butyl hexanoate
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
ethyl (Z)-4-octenoate
FL/FR
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
ethyl butyrate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
ethyl-2-cyclopentenyl acetate
FR
heliotropyl isobutyrate
FL/FR
beta-
ionone epoxide
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
3-
nonen-2-one
FL/FR
osmanthus flower absolute
FL/FR
pineapple hydroxyhexanoate
FL/FR
iso
propenyl acetate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
styralyl butyrate
FL/FR
vanilla carboxylate
FL/FR
green
galbanum oxyacetate
FR
galbascone (IFF)
FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
pineapple heptadienone 10%
FR
spirogalbanone (Givaudan)
FR
thiogeraniol
FL/FR
herbal
herbal undecanone
FR
mentholic
menthyl acetate racemic
FL/FR
nutty
2-
methyl-3-ethoxypyrazine
FL/FR
soapy
ambrettolide
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
ethyl methyl mercaptopropionate
FL/FR
tropical
pina colada fragrance
FR
tropical 3-thiobutyrate
FL/FR
waxy
ethyl octanoate
FL/FR
(E)-2-
octen-1-yl butyrate
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 cyclohexyl valerate
FL
allyl sorbate
FL/FR
(E,E)-
allyl sorbate
FL/FR
allyl tiglate
FL
iso
amyl 3-methyl thiopropionate
FL
amyl propionate
FL/FR
benzyl ethyl ether
FL/FR
blackberry thiophenone
FL/FR
cyclohexyl hexanoate
FL/FR
9-
decen-2-one
FL
ethyl 2-hydroxy-3-methyl valerate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl 5-hydroxyoctanoate
FL/FR
ethyl cyclohexane propionate
FL/FR
ethyl cyclohexyl carboxylate
FL
geranyl valerate
FL/FR
beta-
ionone epoxide
FL/FR
menthyl acetate racemic
FL/FR
methyl (Z)-4-octenoate
FL/FR
methyl 2-hexenoate
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
(E)-5-
nonen-2-one
FL/FR
(E)-2-
octen-1-yl butyrate
FL/FR
(E)-2-
octen-4-ol
FL
osmanthus flower absolute
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl valerate
FL/FR
sorbyl propionate
FL
coffee
coffee
methyl furfuryl disulfide
FL/FR
ethereal
iso
propenyl acetate
FL/FR
fatty
allyl octanoate
FL/FR
fruity
allyl cyclohexyl acetate
FL/FR
allyl cyclohexyl propionate
FL/FR
allyl decanoate
FL/FR
allyl heptanoate
FL/FR
allyl hexanoate
FL/FR
amyl hexanoate
FL/FR
benzyl butyrate
FL/FR
3-
benzyl-4-heptanone
FL/FR
butyl butyrate
FL/FR
iso
butyl butyrate
FL/FR
butyl hexanoate
FL/FR
iso
butyl hexanoate
FL/FR
iso
butyl isobutyrate
FL/FR
butyl isovalerate
FL/FR
butyl valerate
FL/FR
cinnamyl isobutyrate
FL/FR
alpha-
damascone
FL/FR
ethyl (Z)-4-octenoate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl 3-oxohexanoate
FL
ethyl butyrate
FL/FR
ethyl heptanoate
FL/FR
ethyl hexanoate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
furfuryl isovalerate
FL
furfuryl valerate
FL
heliotropyl isobutyrate
FL/FR
methionyl butyrate
FL
methyl (E)-2-octenoate
FL/FR
methyl 2-methyl valerate
FL/FR
methyl hexanoate
FL/FR
methyl isovalerate
FL/FR
(
methyl thio) methyl hexanoate
FL
nerolin fragarol
FL/FR
pineapple hydroxyhexanoate
FL/FR
propyl formate
FL/FR
styralyl butyrate
FL/FR
vanilla carboxylate
FL/FR
green
iso
butyl 2-butenoate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
jammy
maltyl isobutyrate
FL/FR
minty
thiogeraniol
FL/FR
oily
3-
nonen-2-one
FL/FR
soapy
ambrettolide
FL/FR
sulfurous
buchu mercaptan
FL/FR
ethyl methyl mercaptopropionate
FL/FR
methyl 4-(methyl thio) butyrate
FL
tropical 3-thiobutyrate
FL/FR
tropical
propyl propionate
FL/FR
waxy
ethyl octanoate
FL/FR
heptanoic acid
FL/FR
winey
valeraldehyde
FL/FR
woody
ambrette seed absolute
FL/FR
beta-
ionone
FL/FR
 
Potential Uses:
FRapple
FRbanana
FRberry
FLcheese blue
 
Occurrence (nature, food, other):note
 cheese bleu cheese
Search PMC Picture
 cheese gruyere cheese
Search PMC Picture
 cheese parmesan cheese
Search PMC Picture
 grape
Search Trop Picture
 heracleum paphlagonicum czeczott fruit oil turkey @ <0.01%
Data GC Search Trop Picture
 star fruit fruit
Search Trop Picture
 strawberry wild strawberry fruit
Search Trop Picture
 wood smoke
Search Picture
 
Synonyms:
 caproic acid isopropyl ester
 hexanoic acid 1-methyl ethyl ester
 hexanoic acid 1-methylethyl ester
 hexanoic acid isopropyl ester
 hexanoic acid, 1-methylethyl ester
 hexanoic acid, isopropyl ester
1-methyl ethyl hexanoate
1-methylethyl hexanoate
 propan-2-yl hexanoate
isopropyl caproate
isopropyl capronate
isopropyl hexylate
iso-propyl-caproate (iso-propylhexanoate)
 
 
Notes:
Present in wine grapes, strawberry, starfruit (Averrhoa carambala), blue cheeses, gruyere de comte cheese and Parmesan cheese. Flavouring ingredient
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