3-heptyl acetate
(+/-)heptan-3-yl acetate
 
Notes:
Used as a food additive [EAFUS]
Synonyms   Articles   Notes   Search
CAS Number: 5921-83-5Picture of molecule3D/inchi
FDA UNII: 79AS95G5J0
Nikkaji Web: J261.061B
MDL: MFCD28404775
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. Register name to be changed to 3-Heptyl acetate.
Category: flavoring 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: 1143  (+/-)heptan-3-yl acetate
DG SANTE Food Flavourings: 09.924  3-heptyl acetate
FEMA Number: 3980 (+/-)heptan-3-yl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):5921-83-5 ; 3-HEPTYL ACETATE
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.85800 to 0.86700 @  25.00 °C.
Pounds per Gallon - (est).: 7.139 to  7.214
Refractive Index: 1.40600 to 1.41400 @  20.00 °C.
Boiling Point: 185.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure: 1.090000 mmHg @ 25.00 °C. (est)
Flash Point: 138.00 °F. TCC ( 58.89 °C. )
logP (o/w): 3.181 (est)
Soluble in:
 alcohol
 water, 117.8 mg/L @ 25 °C (est)
Insoluble in:
 water
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: floral
 
 sweet  floral  rose  pear  
Odor Description:
at 100.00 %. 
sweet floral rose pear
 
Odor and/or flavor descriptions from others (if found).
 
 
Synonyms   Articles   Notes   Search   Top
Cosmetic Information:
None found
Synonyms   Articles   Notes   Search   Top
Suppliers:
Alfrebro
3-HEPTYL ACETATE NATURAL
Odor: Rose, Pear, Sweet, Floral
Parchem
3-heptyl acetate
Penta International
3-HEPTANOL ACETATE NATURAL
Penta International
3-HEPTANOL ACETATE
Sigma-Aldrich
3-Heptyl Acetate natural (US), ≥96%, FG
Certified Food Grade Products
Synonyms   Articles   Notes   Search   Top
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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavoring agents
Recommendation for 3-heptyl acetate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 20
Click here to view publication 20
 average usual ppmaverage maximum ppm
baked goods: 8.0000016.00000
beverages(nonalcoholic): 5.0000010.00000
beverages(alcoholic): 5.0000010.00000
breakfast cereal: --
cheese: --
chewing gum: 25.0000050.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 6.0000012.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 7.0000014.00000
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: 3.000006.00000
soft candy: 7.0000014.00000
soups: --
sugar substitutes: --
sweet sauces: --
Synonyms   Articles   Notes   Search   Top
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 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
Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4 (2012)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4
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 : 537615
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 heptan-3-yl acetate
Chemidplus: 0005921835
Synonyms   Articles   Notes   Search   Top
References:
Leffingwell: Chirality or Article
 heptan-3-yl acetate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 537615
Pubchem (sid): 135336794
Synonyms   Articles   Notes   Search   Top
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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32309
FooDB: FDB009555
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
aldehydic
 nonanal diethyl acetalFL/FR
chocolate
isoamyl phenyl acetateFL/FR
floral
isoamyl undecylenateFL/FR
 benzyl alcoholFL/FR
laevo-citronellolFL/FR
 citronellyl anthranilateFL/FR
(Z)-alpha-damasconeFL/FR
 farnesyl acetateFL/FR
 geranium oil egyptFL/FR
 geranium oil terpenelessFL/FR
 geranium petiole oil indiaFL/FR
 geranium rose oilFL/FR
 geranyl acetateFL/FR
(E)-geranyl linaloolFL/FR
 hexyl 2-furoateFL/FR
2-methyl octanalFL/FR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanolFL/FR
 octyl isovalerateFL/FR
 phenethyl alcoholFL/FR
 phenethyl anthranilateFL/FR
 phenethyl heptanoateFL/FR
 phenethyl lactateFL/FR
 phenethyl salicylateFL/FR
 rhodinol substituesFL/FR
 rhodinyl acetate substitutesFL/FR
 rose absolute (rosa centifolia)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
 rose butanoateFL/FR
 rose oil (rosa centifolia) egyptFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) iranFL/FR
 rose oil (rosa damascena) turkeyFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
fruity
(E)-alpha-damasconeFL/FR
green
isodecanalFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
herbal
laevo-menthyl propionateFL/FR
 rose oil (rosa centifolia) moroccoFL/FR
powdery
para-anisyl alcoholFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl undecylenateFL/FR
(Z)-alpha-damasconeFL/FR
isodecanalFL/FR
(E)-geranyl linaloolFL/FR
laevo-menthyl propionateFL/FR
2-methyl octanalFL/FR
 nonanal diethyl acetalFL/FR
 octyl isovalerateFL/FR
 phenethyl heptanoateFL/FR
 phenethyl lactateFL/FR
 rhodinyl acetate substitutesFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-olFL/FR
berry
 rhodinol substituesFL/FR
floral
isoamyl phenyl acetateFL/FR
laevo-citronellolFL/FR
 farnesyl acetateFL/FR
 geranium oil egyptFL/FR
 geranium oil terpenelessFL/FR
 geranium petiole oil indiaFL/FR
 geranium rose oilFL/FR
 neryl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl anthranilateFL/FR
 rose absolute (rosa centifolia)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
 rose oil (rosa centifolia) egyptFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) iranFL/FR
 rose oil (rosa damascena) turkeyFL/FR
fruity
para-anisyl alcoholFL/FR
 benzyl alcoholFL/FR
 citronellyl anthranilateFL/FR
(E)-alpha-damasconeFL/FR
 neryl isovalerateFL/FR
 rose butanoateFL/FR
green
 geranyl acetateFL/FR
 hexyl 2-furoateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
herbal
 rose oil (rosa centifolia) moroccoFL/FR
medicinal,
 phenethyl salicylateFL/FR
waxy
 nonanolFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
None Found
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
 acetic acid 3-heptanyl ester
 acetic acid, 3-heptanyl ester
1-ethyl pentyl acetate
1-ethylpentyl acetate
 heptan-3-yl acetate
(+/-)heptan-3-yl acetate
(±)-heptan-3-yl acetate
3-heptanol acetate
3-heptanol, acetate
(±)-3-heptanyl acetate
Synonyms   Articles   Notes   Search   Top
Synonyms   Articles   Notes   Search   Top
Please share your Comments.
Email Address:
 
 
 
 
Top of Page Home
Copyright © 1980-2021 Perflavory ™ Disclaimer Privacy Policy