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

isopropyl decanoate
decanoic acid, 1-methylethyl ester

Supplier Sponsors

Name:propan-2-yl decanoate
CAS Number: 2311-59-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:219-001-4
FDA UNII:01R0Y41050
Nikkaji Web:J151.159I
MDL:MFCD00059258
CoE Number:10730
XlogP3-AA:5.00 (est)
Molecular Weight:214.34862000
Formula:C13 H26 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
FLAVIS Number:09.604 (Old)
DG SANTE Food Flavourings:09.604 isopropyl decanoate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85100 to 0.85700 @ 25.00 °C.
Pounds per Gallon - (est).: 7.081 to 7.131
Refractive Index:1.42100 to 1.42700 @ 20.00 °C.
Boiling Point: 248.00 to 249.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.024000 mm/Hg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.44 °C. )
logP (o/w): 5.215 (est)
Soluble in:
 alcohol
 water, 1.309 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
green vegetable woody oily fruity
Odor Description:at 100.00 %. green vegetable woody oily fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
isoPropyl Decanoate
Inoue Perfumery
isoPROPYL DECANOATE
Penta International
ISOPROPYL CAPRATE (COE NUMBER: 10730), Kosher
Santa Cruz Biotechnology
For experimental / research use only.
isoPropyl Decanoate
Sigma-Aldrich: Aldrich
For experimental / research use only.
isoPropyl Decanoate
Synerzine
isoPropyl Caprate
TCI AMERICA
For experimental / research use only.
isoPropyl Decanoate >96.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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 decanoate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
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

Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): 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

Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): 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

Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): 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 :16833
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
propan-2-yl decanoate
Chemidplus:0002311593
 
References:
 propan-2-yl decanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2311-59-3
Pubchem (cid):16833
Pubchem (sid):134982703
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.90.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
anisic
amyl furoate
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
fatty
ethyl linoleate
FL/FR
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
floral
alpha-
amyl cinnamaldehyde
FL/FR
apple blossom fragrance
FR
hexyl nonanoate
FL/FR
beta-
ocimene
FL/FR
fruity
iso
amyl nonanoate
FL/FR
dodecyl isobutyrate
FL/FR
(R)-(-)-2-
heptanol
FL/FR
2-
heptyl butyrate
FL/FR
hexyl valerate
FL/FR
octyl octanoate
FL/FR
tropical thiazole
FL/FR
green
artichoke absolute
FR
artichoke concrete
FR
2-iso
butyl pyrazine
FL/FR
cucumber essence
FL/FR
geranium thiazole
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
4-
hexenol
FL/FR
2-
octen-1-ol
FL/FR
1-
penten-3-ol
FL/FR
herbal
3-
butylidene phthalide
FL/FR
5-
methyl-3-heptanone
FL/FR
2-
pentyl acetate
FL/FR
sunflower oil
FL/FR
tricyclodecenyl propionate
FR
minty
iso
propyl tiglate
FL/FR
musk
musk nonane
FR
oily
mcp acetate
FR
petal pyranone
FL/FR
spicy
cumin oil replacer
FR
cumin seed oil
FL/FR
vegetable
endo-1,2,3,3-
tetramethyl bicyclo(2.2.1)heptan-2-ol
FR
waxy
propyl decanoate
FL/FR
woody
chamaecyparis nootkatensis wood oil
FR
laminaria absolute
FR
louro brasileiro wood oil
FR
sandalrome
FR
sandel
FR
santal penten-2-ol
FR
For Flavor
No flavor group found for these
amyl furoate
FL/FR
2-iso
butyl pyrazine
FL/FR
dodecyl isobutyrate
FL/FR
ethyl linoleate
FL/FR
(R)-(-)-2-
heptanol
FL/FR
2-
heptyl butyrate
FL/FR
hexyl nonanoate
FL/FR
hexyl valerate
FL/FR
5-
methyl hexanoic acid
FL
4-(
methyl thio) butanol
FL
2-
methyl-6-propoxypyrazine
FL
octyl octanoate
FL/FR
propyl decanoate
FL/FR
2-iso
propyl pyridine
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
alliaceous
alliaceous
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
bitter
(E,Z,Z)-2,4,7-
tridecatrienal
FL/FR
celery
3-
butylidene phthalide
FL/FR
dairy
2-
pentyl acetate
FL/FR
fatty
2-
octen-1-ol
FL/FR
fruity
(E)-2-
decenoic acid
FL
5-
methyl-3-heptanone
FL/FR
green
cucumber essence
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
geranium thiazole
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-(5-
methyl-2-furyl) butanal
FL
beta-
ocimene
FL/FR
1-
penten-3-ol
FL/FR
2-
propyl pyrazine
FL
iso
propyl tiglate
FL/FR
propylene glycol acetone ketal
FL
herbal
sunflower oil
FL/FR
metallic
4-
hexenol
FL/FR
oily
petal pyranone
FL/FR
spicy
cumin seed oil
FL/FR
sulfurous
methyl benzyl disulfide
FL
tropical
alpha-
amyl cinnamaldehyde
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
winey
iso
amyl nonanoate
FL/FR
 
Potential Uses:
 fruit
 
Occurrence (nature, food, other):note
 cheese bleu cheese
Search PMC Picture
 kumquat peel oil
Search Trop Picture
 strawberry wild strawberry fruit
Search Trop Picture
 
Synonyms:
N-capric acid isopropyl ester
 decanoic acid 1-methyl ethyl ester
 decanoic acid 1-methylethyl ester
 decanoic acid, 1-methylethyl ester
 propan-2-yl decanoate
isopropyl caprate
 

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