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

sorbyl acetate
2,4-hexadienyl acetate

Sponsors

Name:hexa-2,4-dienyl acetate
CAS Number: 1516-17-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-163-8
FDA UNII:5416SJ1T8T
Nikkaji Web:J33.460J
MDL:MFCD00036521
CoE Number:10675
XlogP3-AA:1.60 (est)
Molecular Weight:140.18204000
Formula:C8 H12 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Predominantly E,E
Category:flavoring agents and cosmetic 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
JECFA Food Flavoring:1780 2,4-hexadienyl acetate
FLAVIS Number:09.573 (Old)
DG SANTE Food Flavourings:09.573 hexa-2,4-dienyl acetate
FEMA Number:4132 2,4-hexadienyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2,4-HEXADIENYL ACETATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.90800 to 0.91400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.555 to 7.605
Refractive Index:1.47000 to 1.47600 @ 20.00 °C.
Boiling Point: 100.00 °C. @ 20.00 mm Hg
Boiling Point: 192.00 to 193.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.662000 mm/Hg @ 25.00 °C. (est)
Flash Point: 160.00 °F. TCC ( 71.11 °C. )
logP (o/w): 2.195 (est)
Soluble in:
 alcohol
 triacetin
 water, 747.7 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
Substantivity:2 hour(s) at 100.00 %
fresh green oily herbal pumpkin fresh parsley
Odor Description:at 100.00 %. fresh green oily herbal pumpkin fresh parsley
Luebke, William tgsc, (2006)
Odor sample from: Sigma-Aldrich
Flavor Type: green
fresh green herbal soapy metallic
Taste Description: at 25.00 ppm in water. fresh green herbal soapy metallic
Luebke, William tgsc, (2006)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
2,4-HEXADIENYL ACETATE ≥98.0%, Kosher
Odor Description:powerful, sweet, pineapple
Taste Description:green
The spicy warm quality of this material can add depth to any fruit flavor, particularly pineapple and tropical flavors.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
2,4-HEXADIENYL ACETATE
≥98.0%, Kosher
Odor: powerful, sweet, pineapple
Flavor: green
The spicy warm quality of this material can add depth to any fruit flavor, particularly pineapple and tropical flavors.
BOC Sciences
For experimental / research use only.
2,4-HEXADIENYL ACETATE 98.0%
Parchem
sorbyl acetate
Penta International
2,4-HEXADIENYL ACETATE, Kosher
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
 
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:
oral-rat LD50 4360 ul/kg
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Dermal Toxicity:
skin-rabbit LD50 2520 ul/kg
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents and cosmetic fragrance agents
Recommendation for sorbyl acetate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/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: 22
 average usual ppmaverage maximum ppm
baked goods: 0.5000010.00000
beverages(nonalcoholic): 2.0000020.00000
beverages(alcoholic): 2.0000020.00000
breakfast cereal: 0.5000010.00000
cheese: --
chewing gum: 5.0000025.00000
condiments / relishes: --
confectionery froastings: 5.0000025.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.0000020.00000
fruit ices: 1.0000020.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: --
hard candy: 1.0000010.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: --
milk products: 5.0000025.00000
nut products: --
other grains: --
poultry: --
processed fruits: 5.0000025.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.0000010.00000
snack foods: 5.0000025.00000
soft candy: 1.0000010.00000
soups: --
sugar substitutes: --
sweet sauces: 1.000005.00000
 
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):

Flavouring Group Evaluation 203: alpha,beta-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double bonds and with or without additional non-conjugated double bonds
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 203, Revision 1 (FGE.203Rev1): a,-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 203, Revision 2 (FGE.203Rev2): a,-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):1516-17-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15196
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:1
hexa-2,4-dienyl acetate
Chemidplus:0001516172
RTECS:AI0350000 for cas# 1516-17-2
 
References:
 hexa-2,4-dienyl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1516-17-2
Pubchem (cid):15196
Pubchem (sid):29283168
 
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB32311
FooDB:FDB009559
Export Tariff Code:2915.39.9500
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
amber
angelica root oil
FL/FR
anise
sweet
fennel seed oil
FL/FR
anisic
estragole
FL/FR
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil america
FL/FR
ocimum basilicum leaf oil CO2 extract
FL/FR
balsamic
cinnamyl formate
FL/FR
burnt
lepidine
FL/FR
citrus
litsea cubeba oil terpeneless
FL/FR
valencene
FL/FR
coconut
delta-
heptalactone
FL/FR
earthy
1-
octen-3-ol
FL/FR
ethereal
ethyl 4-pentenoate
FL/FR
fatty
(E,Z)-2,6-
dodecadienal
FL/FR
(E)-2-
octenal
FL/FR
floral
iso
amyl salicylate
FL/FR
beta-
damascenone
FL/FR
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranium oil africa
FL/FR
geranium oil egypt
FL/FR
hexahydrofarnesyl acetone
FL/FR
methyl jasmonate
FL/FR
neryl formate
FL/FR
iso
phytol
FL/FR
fruity
butyl 2-decenoate
FL/FR
iso
butyl octanoate
FL/FR
octyl butyrate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
green
iso
butyl heptanoate
FL/FR
iso
butyl methyl ketone
FL/FR
2-sec-
butyl thiazole
FL/FR
coriander heptenol
FL/FR
heptanal (aldehyde C-7)
FL/FR
1-
heptanol
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl tiglate
FL/FR
6-
methyl-3-hepten-2-one
FL/FR
olive oil absolute
FL/FR
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
herbal
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
anethum graveolens herb oil
FL/FR
anthemis nobilis flower extract
FL/FR
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
1,4-
cineole
FL/FR
clary sage oil france
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
hyssop oil
FL/FR
linalyl formate
FL/FR
linalyl octanoate
FL/FR
marigold oil mexico
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
5-
methyl-3-heptanone
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
1-
octen-3-yl acetate
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
curled
parsley seed oil
FL/FR
perillaldehyde
FL/FR
laevo-
perillaldehyde
FL/FR
rosmarinus officinalis extract
FL/FR
rosmarinus officinalis tincture
FL/FR
salvia sclarea oil
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
theaspirane
FL/FR
thyme absolute
FL/FR
viridiflorol
FL/FR
wormwood oil america
FL/FR
melon
melon heptenal
FL/FR
minty
(-)-
menthone
FL/FR
(-)-iso
pulegol
FL/FR
mossy
oakmoss absolute
FL/FR
spicy
iso
butyl angelate
FL/FR
(-)-
cubenol
FL/FR
cuminaldehyde
FL/FR
waxy
octyl isobutyrate
FL/FR
woody
sabinene
FL/FR
For Flavor
No flavor group found for these
6-
acetoxydihydrotheaspirane
FL/FR
alpha-
amyl cinnamyl formate
FL/FR
iso
butyl heptanoate
FL/FR
iso
butyl octanoate
FL/FR
4-
butyl thiazole
FL
2-sec-
butyl thiazole
FL/FR
coriander heptenol
FL/FR
dimethyl benzyl carbinyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
fig leaf absolute
FL
(E,E)-2,4-
hexadien-1-ol
FL
linalyl formate
FL/FR
melaleuca leucadendron var. cajuputi leaf oil
FL/FR
6-
methyl-3-hepten-2-one
FL/FR
(E)-6-
methyl-3-hepten-2-one
FL/FR
3-
pentanol
FL
2-
propyl thiazole
FL
seaweed absolute (fucus vesiculosus et serratus)
FL/FR
viridiflorol
FL/FR
absinthe
absinthe
absinthe flavor
FL
anise
sweet
fennel seed oil
FL/FR
aromatic
laevo-
perillaldehyde
FL/FR
citrus
valencene
FL/FR
cooling
1,4-
cineole
FL/FR
theaspirane
FL/FR
creamy
octyl isobutyrate
FL/FR
fatty
(E,E)-2,4-
decadienal
FL
(E,E)-2,4-
heptadienal
FL
(E)-2-
octenal
FL/FR
floral
dihydrojasmone
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
geranium oil africa
FL/FR
geranium oil egypt
FL/FR
lepidine
FL/FR
methyl jasmonate
FL/FR
fruity
butyl 2-decenoate
FL/FR
linalyl octanoate
FL/FR
5-
methyl-3-heptanone
FL/FR
neryl formate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
tagete oil CO2 extract
FL/FR
tagete oil rwanda
FL/FR
tagete oil south africa
FL/FR
green
iso
amyl salicylate
FL/FR
angelica root oil
FL/FR
iso
butyl angelate
FL/FR
iso
butyl methyl ketone
FL/FR
(+)-alpha-
campholenic aldehyde
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
heptanal (aldehyde C-7)
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal diethyl acetal
FL/FR
hexahydrofarnesyl acetone
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl pyruvate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl tiglate
FL/FR
melon heptenal
FL/FR
oakmoss absolute
FL/FR
1-
octen-3-yl acetate
FL/FR
herbal
anethum graveolens herb oil
FL/FR
anthemis nobilis flower extract
FL/FR
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
clary sage oil france
FL/FR
dill weed oil cuba
FL/FR
dill weed oil reunion
FL/FR
hop absolute
FL/FR
hop oil
FL/FR
hyssop oil
FL/FR
marigold oil mexico
FL/FR
ocimum basilicum herb oil
FL/FR
ocimum basilicum leaf oil america
FL/FR
ocimum basilicum leaf oil CO2 extract
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
curled
parsley seed oil
FL/FR
curled
parsley seed oleoresin
FL
rosmarinus officinalis extract
FL/FR
rosmarinus officinalis tincture
FL/FR
salvia sclarea oil
FL/FR
thyme absolute
FL/FR
wormwood oil america
FL/FR
lactonic
delta-
heptalactone
FL/FR
lemon
litsea cubeba oil terpeneless
FL/FR
licorice
estragole
FL/FR
minty
(-)-
menthone
FL/FR
(-)-iso
pulegol
FL/FR
mushroom
1-
octen-3-ol
FL/FR
oily
olive oil absolute
FL/FR
iso
phytol
FL/FR
solvent
1-
heptanol
FL/FR
spicy
cinnamyl formate
FL/FR
(-)-
cubenol
FL/FR
cumin oleoresin
FL
cuminaldehyde
FL/FR
perillaldehyde
FL/FR
waxy
octyl butyrate
FL/FR
woody
beta-
damascenone
FL/FR
sabinene
FL/FR
 
Potential Uses:
 fruit
FLgreen
FLherbal
FLmango
FL/FRparsley leaf
FRpassion fruit
FLpineapple
FLpumpkin
FLtropical
FLvegetable
 watercress nasturtium
FLwine
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 acetic acid 2,4-hexadien-1-ol ester
 acetic acid 2,4-hexadien-1-yl ester
 hexa-2,4-dien-1-yl acetate
 hexa-2,4-dienyl acetate
2,4-hexadien-1-ol, acetate
2,4-hexadien-1-yl acetate
2,4-hexadienyl acetate
 sorbyl acetate
 
 
Notes:
Used as a food additive [EAFUS]
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy