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

sec-heptyl acetate
1-methylhexyl acetate

Sponsors

Name:heptan-2-yl acetate
CAS Number: 5921-82-4Picture of molecule3D/inchi
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
 
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
 
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).
 
Cosmetic Information:
None found
 
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
 
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
 
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 :80018
National Institute of Allergy and Infectious Diseases:Data
heptan-2-yl acetate
Chemidplus:0005921824
 
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
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
satinaldehyde
FL/FR
aldehydic
aldehydic
2-
tridecenal
FL/FR
animal
methyl (E)-2-octenoate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
chemical
propyl propionate
FL/FR
citrus
2-
heptanol
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
earthy
methyl 3-hexenoate
FL/FR
ethereal
acetaldehyde dimethyl acetal
FL/FR
cyclohexyl formate
FL/FR
1-
hexen-3-ol
FL/FR
methyl ethyl ketone
FL/FR
2-
methyl valeraldehyde
FL/FR
propyl formate
FL/FR
fatty
decanol
FL/FR
3-
decen-2-one
FL/FR
ethyl undecylenate
FL/FR
2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
floral
citronellol
FL/FR
citronellyl acetate
FL/FR
citronellyl formate
FL/FR
cuminyl acetaldehyde
FL/FR
beta-
damascenone
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl phenyl acetate
FL/FR
beta-
ionone
FL/FR
iso
jasmone
FL/FR
iso
jasmone
FL/FR
lilac pentanol
FL/FR
(Z)-
methyl epi-jasmonate
FL/FR
methyl jasmonate
FL/FR
nerol
FL/FR
neryl formate
FL/FR
phenethyl acetate
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
styralyl propionate
FL/FR
fruity
allyl butyrate
FL/FR
amyl formate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
iso
amyl isovalerate
FL/FR
berry pentadienoate
FL/FR
bisabolene
FL/FR
butyl 2-decenoate
FL/FR
butyl hexanoate
FL/FR
iso
butyl isovalerate
FL/FR
cherry pentenoate
FL/FR
citronellyl isobutyrate
FL/FR
dimethyl succinate
FL/FR
ethyl 2-octenoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl levulinate
FL/FR
(E)-
ethyl tiglate
FL/FR
geranyl butyrate
FL/FR
geranyl isovalerate
FL/FR
grape butyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
methyl heptanoate
FL/FR
3-
methyl-2-butenal
FL/FR
neryl propionate
FL/FR
2-
nonanone
FL/FR
octyl butyrate
FL/FR
prenol
FL/FR
green
actinidia chinensis fruit extract
FL/FR
para-
dimethyl hydroquinone
FL/FR
ethyl (E)-2-hexenoate
FL/FR
1-
heptanol
FL/FR
heptyl acetate
FL/FR
(E)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
(Z)-3-
hexenyl methyl ether
FR
hexyl hexanoate
FL/FR
methyl (E)-3-hexenoate
FL/FR
methyl octine carbonate
FL/FR
neryl butyrate
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
3-
octyl formate
FL/FR
olive oil absolute
FL/FR
phenoxyethyl isobutyrate
FL/FR
1-
phenyl-2-pentanol
FL/FR
terpinyl propionate
FL/FR
thiogeraniol
FL/FR
tiglaldehyde
FL/FR
herbal
hexanol
FL/FR
melon
(Z)-6-
nonen-1-yl acetate
FL/FR
terpenic
cassis bud oil
FL/FR
tropical
psidium guajava fruit extract
FL/FR
waxy
methyl octanoate
FL/FR
2-
nonanol
FL/FR
For Flavor
aldehydic
2-
tridecenal
FL/FR
cheesy
2-
nonanone
FL/FR
chemical
methyl ethyl ketone
FL/FR
citrus
bisabolene
FL/FR
nerol
FL/FR
styralyl propionate
FL/FR
coconut
(R)-
massoia lactone
FL
creamy
massoia lactone
FL
ethereal
acetaldehyde dimethyl acetal
FL/FR
fatty
ethyl undecylenate
FL/FR
(E,E)-2,4-
heptadienal
FL
(Z)-3-
hexen-1-yl benzoate
FL/FR
2-
nonen-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
floral
citronellol
FL/FR
citronellyl acetate
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl phenyl acetate
FL/FR
(Z)-
methyl epi-jasmonate
FL/FR
methyl jasmonate
FL/FR
satinaldehyde
FL/FR
fruity
iso
amyl benzoate
FL/FR
amyl formate
FL/FR
iso
amyl hexanoate
FL/FR
iso
amyl isobutyrate
FL/FR
berry pentadienoate
FL/FR
butyl 2-decenoate
FL/FR
butyl hexanoate
FL/FR
cassis bud oil
FL/FR
cherry pentenoate
FL/FR
citronellyl formate
FL/FR
citronellyl isobutyrate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
ethyl 3-hexenoate
FL/FR
ethyl levulinate
FL/FR
(E)-
ethyl tiglate
FL/FR
2-
furyl pentyl ketone
FL
geranyl butyrate
FL/FR
2-
heptanol
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
hexyl acetate
FL/FR
hexyl hexanoate
FL/FR
kiwi distillates
FL
lilac pentanol
FL/FR
methyl (E)-2-octenoate
FL/FR
methyl 3-hexenoate
FL/FR
methyl heptanoate
FL/FR
3-
methyl-2-butenal
FL/FR
neryl formate
FL/FR
(Z)-3-
nonen-1-yl acetate
FL
(Z)-5-
octen-1-yl acetate
FL
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
1-
phenyl-2-pentanol
FL/FR
prenol
FL/FR
propyl formate
FL/FR
tiglaldehyde
FL/FR
green
actinidia chinensis fruit extract
FL/FR
allyl butyrate
FL/FR
iso
amyl isovalerate
FL/FR
iso
butyl isovalerate
FL/FR
cucumber distillates
FL
cuminyl acetaldehyde
FL/FR
cyclohexyl formate
FL/FR
3-
decen-2-one
FL/FR
para-
dimethyl hydroquinone
FL/FR
2-
ethyl butyraldehyde
FL
geranyl isovalerate
FL/FR
grape butyrate
FL/FR
heptyl acetate
FL/FR
hexanol
FL/FR
(E)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (Z)-3-hexenoate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
1-
hexen-3-ol
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl isovalerate
FL/FR
iso
jasmone
FL/FR
iso
jasmone
FL/FR
3,5-
lutidine
FL
methyl (E)-3-hexenoate
FL/FR
methyl 2-undecynoate
FL
methyl octanoate
FL/FR
methyl octine carbonate
FL/FR
3-(5-
methyl-2-furyl) butanal
FL
4-
methyl-2-pentenal
FL
neryl butyrate
FL/FR
neryl propionate
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(Z)-6-
nonen-1-yl acetate
FL/FR
(E,E)-2,4-
octadienal
FL
2,4-
octadienal
FL
(E)-2-
octen-1-yl acetate
FL/FR
phenoxyethyl isobutyrate
FL/FR
terpinyl propionate
FL/FR
honey
phenethyl acetate
FL/FR
minty
thiogeraniol
FL/FR
oily
olive oil absolute
FL/FR
pungent
acetaldehyde
FL
solvent
1-
heptanol
FL/FR
tropical
guava distillates
FL
propyl propionate
FL/FR
psidium guajava fruit
FL
psidium guajava fruit extract
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
decanol
FL/FR
2-
nonanol
FL/FR
octyl butyrate
FL/FR
3-
octyl formate
FL/FR
woody
beta-
damascenone
FL/FR
beta-
ionone
FL/FR
 
Potential Uses:
None Found
 
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
 
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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