sec-heptyl acetate
1-methylhexyl acetate
 
Notes:
None found
  • SRS Aromatics
    • SRS Aromatics Ltd
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      2-HEPTYL ACETATE
       
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heptan-2-yl acetate (Click)
CAS Number: 5921-82-4Picture of molecule
ECHA EINECS - REACH Pre-Reg: 227-647-3
Nikkaji Web: J126.499K
CoE Number: 10802
XlogP3-AA: 2.90 (est)
Molecular Weight: 158.24086000
Formula: C9 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate.
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: 09.388 (Old)
DG SANTE Food Flavourings: 09.388  sec-heptyl acetate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.86200 to 0.86800 @  25.00 °C.
Pounds per Gallon - (est).: 7.173 to  7.223
Refractive Index: 1.40600 to 1.41200 @  20.00 °C.
Boiling Point: 172.00 °C. @ 760.00 mm Hg
Vapor Pressure: 1.090000 mm/Hg @ 25.00 °C. (est)
Flash Point: 138.00 °F. TCC ( 58.89 °C. )
logP (o/w): 3.177 (est)
Soluble in:
 alcohol
 water, 117.8 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: brown
 
Odor Description:
fenugreek fruity
 
 
Flavor Type: fatty
 
 fatty  green  fruity  
Taste Description:
fatty green 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.
2-Heptyl Acetate
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Heptyl Acetate
SRS Aromatics
2-HEPTYL ACETATE
Odor: Fruity, Fenugreek
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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
 
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
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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
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 80018
National Institute of Allergy and Infectious Diseases: Data
 heptan-2-yl acetate
Chemidplus: 0005921824
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References:
Leffingwell: Chirality or Article
 heptan-2-yl acetate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5921-82-4
Pubchem (cid): 80018
Pubchem (sid): 135038463
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
HMDB (The Human Metabolome Database): Search
FooDB: FDB007187
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
2-acetonyl-5-methyl furan 
1-amyl-pyrrole-3-aldehyde 
2,5-dimethyl-3,6-dihexyl pyrazine 
3-mercapto-3-methyl-1-hexanol 
4-(1-propenyl) pyridine 
2-(pyridyl-2)-ethyl ethyl sulfide 
 satinaldehydeFL/FR
1-(thienyl-2)butan-1,2-dione 
para-thiocresol 
aldehydic
2-tridecenalFL/FR
animal
 methyl (E)-2-octenoateFL/FR
balsamic
isoamyl benzoateFL/FR
chemical
 propyl propionateFL/FR
citrus
2-heptanolFL/FR
creamy
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
earthy
 methyl 3-hexenoateFL/FR
 acetaldehyde dimethyl acetalFL/FR
 cyclohexyl formateFL/FR
1-hexen-3-olFL/FR
 methyl ethyl ketoneFL/FR
2-methyl valeraldehydeFL/FR
 propyl formateFL/FR
fatty
 decanolFL/FR
3-decen-2-oneFL/FR
 ethyl undecylenateFL/FR
2-nonen-1-olFL/FR
2-nonenalFL/FR
floral
 citronellolFL/FR
 citronellyl acetateFL/FR
 citronellyl formateFL/FR
 cuminyl acetaldehydeFL/FR
beta-damascenoneFL/FR
(E)-geranyl acetoneFL/FR
 geranyl phenyl acetateFL/FR
beta-iononeFL/FR
isojasmoneFL/FR
isojasmoneFL/FR
 lilac pentanolFL/FR
(Z)-methyl epi-jasmonateFL/FR
 methyl jasmonateFL/FR
 nerolFL/FR
 neryl formateFL/FR
 phenethyl acetateFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
 styralyl propionateFL/FR
fruity
 allyl butyrateFL/FR
 amyl formateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
isoamyl isovalerateFL/FR
 berry pentadienoateFL/FR
 bisaboleneFL/FR
 butyl 2-decenoateFL/FR
 butyl hexanoateFL/FR
isobutyl isovalerateFL/FR
 cherry pentenoateFL/FR
 citronellyl isobutyrateFL/FR
 dimethyl succinateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl levulinateFL/FR
(E)-ethyl tiglateFL/FR
 geranyl butyrateFL/FR
 geranyl isovalerateFL/FR
 grape butyrateFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 methyl heptanoateFL/FR
3-methyl-2-butenalFL/FR
 neryl propionateFL/FR
2-nonanoneFL/FR
 octyl butyrateFL/FR
 prenolFL/FR
green
 actinidia chinensis fruit extractFL/FR
para-dimethyl hydroquinoneFL/FR
 ethyl (E)-2-hexenoateFL/FR
1-heptanolFL/FR
 heptyl acetateFL/FR
(E)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
(Z)-3-hexenyl methyl etherFR
 hexyl hexanoateFL/FR
 methyl (E)-3-hexenoateFL/FR
 methyl octine carbonateFL/FR
 neryl butyrateFL/FR
(E)-2-nonen-1-olFL/FR
(Z)-2-nonen-1-olFL/FR
(E)-2-octen-1-yl acetateFL/FR
3-octyl formateFL/FR
 olive oil absoluteFL/FR
 phenoxyethyl isobutyrateFL/FR
1-phenyl-2-pentanolFL/FR
 terpinyl propionateFL/FR
 thiogeraniolFL/FR
 tiglaldehydeFL/FR
herbal
 hexanolFL/FR
melon
(Z)-6-nonen-1-yl acetateFL/FR
terpenic
 cassis bud oilFL/FR
 psidium guajava fruit extractFL/FR
 methyl octanoateFL/FR
2-nonanolFL/FR
 
For Flavor
 
aldehydic
2-tridecenalFL/FR
astringent
2-(pyridyl-2)-ethyl ethyl sulfide 
1-(thienyl-2)butan-1,2-dione 
burnt
para-thiocresol 
cheesy
2-nonanoneFL/FR
chemical
 methyl ethyl ketoneFL/FR
citrus
 bisaboleneFL/FR
 nerolFL/FR
 styralyl propionateFL/FR
coconut
(R)-massoia lactoneFL
creamy
 massoia lactoneFL
ethereal
 acetaldehyde dimethyl acetalFL/FR
fatty
2-acetonyl-5-methyl furan 
1-amyl-pyrrole-3-aldehyde 
 ethyl undecylenateFL/FR
(E,E)-2,4-heptadienalFL
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-2-nonen-1-olFL/FR
2-nonen-1-olFL/FR
2-nonenalFL/FR
floral
 citronellolFL/FR
 citronellyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl phenyl acetateFL/FR
(Z)-methyl epi-jasmonateFL/FR
 methyl jasmonateFL/FR
 satinaldehydeFL/FR
fruity
isoamyl benzoateFL/FR
 amyl formateFL/FR
isoamyl hexanoateFL/FR
isoamyl isobutyrateFL/FR
 berry pentadienoateFL/FR
 butyl 2-decenoateFL/FR
 butyl hexanoateFL/FR
 cassis bud oilFL/FR
 cherry pentenoateFL/FR
 citronellyl formateFL/FR
 citronellyl isobutyrateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl levulinateFL/FR
(E)-ethyl tiglateFL/FR
2-furyl pentyl ketoneFL
 geranyl butyrateFL/FR
2-heptanolFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
 hexyl acetateFL/FR
 hexyl hexanoateFL/FR
 kiwi distillatesFL
 lilac pentanolFL/FR
3-mercapto-3-methyl-1-hexanol 
 methyl (E)-2-octenoateFL/FR
 methyl 3-hexenoateFL/FR
 methyl heptanoateFL/FR
3-methyl-2-butenalFL/FR
 neryl formateFL/FR
(Z)-3-nonen-1-yl acetateFL
(Z)-5-octen-1-yl acetateFL
2-phenyl propionaldehyde dimethyl acetalFL/FR
1-phenyl-2-pentanolFL/FR
 prenolFL/FR
 propyl formateFL/FR
 tiglaldehydeFL/FR
green
 actinidia chinensis fruit extractFL/FR
 allyl butyrateFL/FR
isoamyl isovalerateFL/FR
isobutyl isovalerateFL/FR
 cucumber distillatesFL
 cuminyl acetaldehydeFL/FR
 cyclohexyl formateFL/FR
3-decen-2-oneFL/FR
para-dimethyl hydroquinoneFL/FR
2,5-dimethyl-3,6-dihexyl pyrazine 
2-ethyl butyraldehydeFL
 geranyl isovalerateFL/FR
 grape butyrateFL/FR
 heptyl acetateFL/FR
 hexanolFL/FR
(E)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (Z)-3-hexenoateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
1-hexen-3-olFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl isovalerateFL/FR
isojasmoneFL/FR
isojasmoneFL/FR
3,5-lutidineFL
 methyl (E)-3-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl octanoateFL/FR
 methyl octine carbonateFL/FR
3-(5-methyl-2-furyl) butanalFL
4-methyl-2-pentenalFL
 neryl butyrateFL/FR
 neryl propionateFL/FR
(E)-2-nonen-1-olFL/FR
(Z)-6-nonen-1-yl acetateFL/FR
(E,E)-2,4-octadienalFL
2,4-octadienalFL
(E)-2-octen-1-yl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
4-(1-propenyl) pyridine 
 terpinyl propionateFL/FR
honey
 phenethyl acetateFL/FR
minty
 thiogeraniolFL/FR
oily
 olive oil absoluteFL/FR
pungent
 acetaldehydeFL
solvent
1-heptanolFL/FR
tropical
 guava distillatesFL
 propyl propionateFL/FR
 psidium guajava fruitFL
 psidium guajava fruit extractFL/FR
vegetable
2-methyl valeraldehydeFL/FR
waxy
 decanolFL/FR
2-nonanolFL/FR
 octyl butyrateFL/FR
3-octyl formateFL/FR
woody
beta-damascenoneFL/FR
beta-iononeFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 banana fruit
Search Trop  Picture
 beans
Search  PMC Picture
 clove - up to 400 mg/kg
Search Trop  Picture
 clove fruit
Search Trop  Picture
 coffee berry
Search  PMC Picture
 feyoa - up to 0.563 mg/kg
Search  PMC Picture
 guava fruit - up to 0.563 mg/kg
Search Trop  Picture
 passion fruit - up to 0.563 mg/kg
Search Trop  Picture
 soybean
Search Trop  Picture
 strawberry wild strawberry fruit
Search Trop  Picture
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Synonyms:
 acetic acid 2-heptyl ester
 heptan-2-yl acetate
2-heptanol, acetate
2-heptyl acetate
1-methyl hexyl acetate
1-methylhexyl acetate
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Articles:
 None found yet.
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