isopropyl decanoate
decanoic acid, 1-methylethyl ester
 
Notes:
None found
  • BOC Sciences
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      Product(s):
      2311-59-3 isoPropyl Decanoate
       
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
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      W01786 isoPropyl Caprate
       
  • TCI AMERICA
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      Product(s):
      C0843 isoPropyl Decanoate >96.0%(GC)
       
Synonyms   Articles   Notes   Search
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
PubMed: Search
NCBI: Search
DG SANTE Food Flavourings: 09.604  isopropyl decanoate
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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 mmHg @ 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
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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).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
isoPropyl Decanoate
Inoue Perfumery
isoPROPYL DECANOATE
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)
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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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Chewing gum (05.0): --
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
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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) 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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
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References:
 propan-2-yl decanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 2311-59-3
Pubchem (cid): 16833
Pubchem (sid): 134982703
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(-)-gamma-elemene 
anisic
 amyl furoateFL/FR
citrus
4-methyl-2-(1-methyl propyl)-1,3-oxathiane 
ethereal
2-methyl valeraldehydeFL/FR
fatty
 ethyl linoleateFL/FR
(E,Z,Z)-2,4,7-tridecatrienalFL/FR
floral
alpha-amyl cinnamaldehydeFL/FR
 apple blossom fragranceFR
 hexyl nonanoateFL/FR
 nonyl nonanoate 
beta-ocimeneFL/FR
fruity
isoamyl nonanoateFL/FR
 dodecyl isobutyrateFL/FR
(R)-(-)-2-heptanolFL/FR
2-heptyl butyrateFL/FR
 hexyl valerateFL/FR
 octyl octanoateFL/FR
1,3,4-trimethyl-2-methylene pentyl 2-butenoate 
 tropical thiazoleFL/FR
green
 artichoke absoluteFR
 artichoke concreteFR
2-isobutyl pyrazineFL/FR
 cucumber essenceFL/FR
 geranium thiazoleFL/FR
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
4-hexenolFL/FR
2-octen-1-olFL/FR
1-penten-3-olFL/FR
herbal
3-butylidene phthalideFL/FR
5-methyl-3-heptanoneFL/FR
2-pentyl acetateFL/FR
 sunflower oilFL/FR
 tricyclodecenyl propionateFR
minty
isopropyl tiglateFL/FR
musk
 musk nonaneFR
oily
 mcp acetateFR
 petal pyranoneFL/FR
spicy
 cumin oil replacerFR
 cumin seed oilFL/FR
sweet
red cinchona bark 
endo-1,2,3,3-tetramethyl bicyclo(2.2.1)heptan-2-olFR
waxy
 propyl decanoateFL/FR
woody
 chamaecyparis nootkatensis wood oilFR
 laminaria absoluteFR
 louro brasileiro wood oilFR
 sandalromeFR
 sandelFR
 santal penten-2-olFR
 
For Flavor
 
No flavor group found for these
 amyl furoateFL/FR
2-isobutyl pyrazineFL/FR
 dodecyl isobutyrateFL/FR
(-)-gamma-elemene 
 ethyl linoleateFL/FR
(R)-(-)-2-heptanolFL/FR
2-heptyl butyrateFL/FR
 hexyl nonanoateFL/FR
 hexyl valerateFL/FR
5-methyl hexanoic acidFL
4-(methyl thio) butanolFL
4-methyl-2-(1-methyl propyl)-1,3-oxathiane 
2-methyl-6-propoxypyrazineFL
 nonyl nonanoate 
 octyl octanoateFL/FR
 propyl decanoateFL/FR
2-isopropyl pyridineFL
2-isopropyl-3-(methyl thio) pyrazineFL
1,3,4-trimethyl-2-methylene pentyl 2-butenoate 
alliaceous
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
bitter
red cinchona bark 
(E,Z,Z)-2,4,7-tridecatrienalFL/FR
celery
3-butylidene phthalideFL/FR
dairy
2-pentyl acetateFL/FR
fatty
2-octen-1-olFL/FR
fruity
(E)-2-decenoic acidFL
5-methyl-3-heptanoneFL/FR
green
 cucumber essenceFL/FR
 dihydroxyacetophenone (mixed isomers)FL
 geranium thiazoleFL/FR
(Z)-4-hexen-1-olFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
3-(5-methyl-2-furyl) butanalFL
beta-ocimeneFL/FR
1-penten-3-olFL/FR
2-propyl pyrazineFL
isopropyl tiglateFL/FR
 propylene glycol acetone ketalFL
herbal
 sunflower oilFL/FR
metallic
4-hexenolFL/FR
oily
 petal pyranoneFL/FR
spicy
 cumin seed oilFL/FR
sulfurous
 methyl benzyl disulfideFL
tropical
alpha-amyl cinnamaldehydeFL/FR
vegetable
2-methyl valeraldehydeFL/FR
winey
isoamyl nonanoateFL/FR
 
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Potential Uses:
 fruitFR
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Occurrence (nature, food, other): note
 cheese bleu cheese
Search  PMC Picture
 kumquat peel oil
Search Trop  Picture
 strawberry wild strawberry fruit
Search Trop  Picture
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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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