(E)-2-hexenal dimethyl acetal
1,1-dimethoxy-trans-2-hexene
 
Notes:
Used as a food additive [EAFUS]
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      Product(s):
      18318-83-7 trans-2-Hexenal dimethyl acetal
       
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    • Penta International Corporation
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      Product(s):
      08-26500 TRANS-2-HEXENAL DIMETHYL ACETAL
       
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CAS Number: 18318-83-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 242-204-4
FDA UNII: 04H497DX4J
Nikkaji Web: J261.056F
Beilstein Number: 4242579
XlogP3-AA: 1.90 (est)
Molecular Weight: 144.21392000
Formula: C8 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
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
JECFA Food Flavoring: 1728  1,1-dimethoxy-trans-2-hexene
DG SANTE Food Flavourings: 06.072  1,1-dimethoxyhex-2(trans)-ene
FEMA Number: 4098 1,1-dimethoxy-trans-2-hexene
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):18318-83-7 ; 1,1-DIMETHOXY-TRANS-2-HEXENE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.86700 to 0.87100 @  25.00 °C.
Pounds per Gallon - (est).: 7.214 to  7.248
Refractive Index: 1.42000 to 1.42400 @  20.00 °C.
Boiling Point: 70.00 °C. @ 15.00 mm Hg
Vapor Pressure: 2.647000 mmHg @ 25.00 °C. (est)
Flash Point: 135.00 °F. TCC ( 57.22 °C. )
logP (o/w): 2.280 (est)
Soluble in:
 alcohol
 water, 1663 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 
 fruity  apple  
Odor Description:
at 10.00 % in dipropylene glycol. 
fruity apple
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: not used anymore
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Suppliers:
BOC Sciences
For experimental / research use only.
trans-2-Hexenal dimethyl acetal
Parchem
(E)-2-hexen-1-al dimethyl acetal
Penta International
TRANS-2-HEXENAL DIMETHYL ACETAL
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Safety Information:
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 37/39 - Wear suitable gloves 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  1700 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 347, 1988.

Dermal Toxicity:
skin-rabbit LD50 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 347, 1988.

skin-guinea pig LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 347, 1988.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
IFRA Critical Effect: Dermal sensitization
IFRA: View Standard
Recommendation for (E)-2-hexenal dimethyl acetal usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.01 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (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
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): 5.0000025.00000
beverages(alcoholic): --
breakfast cereal: 5.0000025.00000
cheese: 7.0000035.00000
chewing gum: --
condiments / relishes: 5.0000025.00000
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 5.0000025.00000
fish products: 2.0000010.00000
frozen dairy: 7.0000035.00000
fruit ices: 10.0000050.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: 20.00000100.00000
hard candy: --
imitation dairy: 7.0000035.00000
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: 2.0000010.00000
milk products: 7.0000035.00000
nut products: --
other grains: 5.0000025.00000
poultry: 2.0000010.00000
processed fruits: 7.0000035.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000025.00000
snack foods: 10.0000050.00000
soft candy: --
soups: 5.0000025.00000
sugar substitutes: --
sweet sauces: 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):
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 18318-83-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6436486
National Institute of Allergy and Infectious Diseases: Data
SCCNFP: opinion
WISER: UN 1993
WGK Germany: 2
 (E)-1,1-dimethoxyhex-2-ene
Chemidplus: 0018318837
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References:
 (E)-1,1-dimethoxyhex-2-ene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 18318-83-7
Pubchem (cid): 6436486
Pubchem (sid): 135044003
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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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB32225
FooDB: FDB009303
Export Tariff Code: 2911.00.5000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
fatty
3-decen-2-oneFL/FR
fermented
 hexanal diethyl acetalFL/FR
floral
(Z)-alpha-damasconeFL/FR
gamma-damasconeFR
alpha-damasconeFL/FR
 methyl citronellateFL/FR
fruity
 allyl heptanoateFL/FR
 allyl propionateFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
isobutyl isovalerateFL/FR
 butyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
(E)-alpha-damasconeFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexenal dimethyl acetal 
 hexyl formateFL/FR
 methyl butyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 nonyl isovalerateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
green
 butyl heptanoateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 galbascone (IFF)FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
(E)-2-pentenalFL/FR
 pineapple heptadienone 10%FR
 propyl tiglateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
waxy
 ethyl decanoateFL/FR
woody
 marine formateFR
 
For Flavor
 
No flavor group found for these
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
 cyclohexyl butyrateFL/FR
(Z)-alpha-damasconeFL/FR
 ethyl 3-methyl valerateFL/FR
 geranyl 2-methyl butyrateFL/FR
 heptyl 2-methyl butyrateFL
 hexanal diethyl acetalFL/FR
(Z)-3-hexenal diethyl acetalFL/FR
(Z)-3-hexenal dimethyl acetal 
 nonyl isovalerateFL/FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl tiglateFL/FR
alliaceous
 allyl propionateFL/FR
floral
 methyl citronellateFL/FR
fruity
 allyl heptanoateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl heptanoateFL/FR
 butyl isovalerateFL/FR
 cyclohexyl isovalerateFL/FR
(E)-alpha-damasconeFL/FR
alpha-damasconeFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl isovalerateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
fusel
 methyl butyrateFL/FR
green
isobutyl isovalerateFL/FR
3-decen-2-oneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
(E)-2-pentenalFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
waxy
 ethyl decanoateFL/FR
 
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Potential Uses:
 appleFL
 fruitFR
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
1,1-dimethoxy-(E)-2-hexene
(2E)-1,1-dimethoxy-2-hexene
1,1-dimethoxy-trans-2-hexene
(2E)-1,1-dimethoxyhex-2-ene
(E)-1,1-dimethoxyhex-2-ene
trans-1,1-dimethoxyhex-2-ene
1,1-dimethoxyhex-2(E)-ene
1,1-dimethoxyhex-2(trans)-ene
(E)-2-hexen-1-al dimethyl acetal
trans-2-hexen-1-al dimethyl acetal
(E)-2-hexenal dimethyl acetal
trans-2-hexenal dimethyl acetal
(E)-2-hexenal, dimethyl acetal
2-hexenal, dimethyl acetal, (E)-
2-hexene, 1,1-dimethoxy-, (2E)-
2-hexene, 1,1-dimethoxy-, (E)-
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