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

(E)-2-hexenal dimethyl acetal
1,1-dimethoxy-trans-2-hexene

Supplier Sponsors

Name:(E)-1,1-dimethoxyhex-2-ene
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
FLAVIS Number:06.072 (Old)
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
 
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
Similar Items:note
acetaldehyde dimethyl acetal
acetyl acetaldehyde dimethyl acetal
alpha-amyl cinnamaldehyde dimethyl acetal
para-anisaldehyde dimethyl acetal
butyraldehyde dimethyl acetal
cinnamaldehyde dimethyl acetal
citral dimethyl acetal
citronellal dimethyl acetal
citronellyl oxyacetaldehyde dimethyl acetal
cyclamen aldehyde dimethyl acetal
decanal dimethyl acetal
dodecanal dimethyl acetal
2-ethyl hexanal dimethyl acetal
heliotropyl dimethyl acetal
heptanal dimethyl acetal
hexanal dimethyl acetal
(Z)-3-hexen-1-al dimethyl acetal
hexoxyacetaldehyde dimethyl acetal
alpha-hexyl cinnamaldehyde dimethyl acetal
hydroxycitronellal dimethyl acetal
2-methyl undecanal dimethyl acetal
nonanal dimethyl acetal
isononanal dimethyl acetal
(Z)-6-nonen-1-al dimethyl acetal
2-nonyn-1-al dimethyl acetal
octanal dimethyl acetal
phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
3-phenyl propionaldehyde dimethyl acetal
propionaldehyde dimethyl acetal
undecanal dimethyl acetal
valeraldehyde dimethyl acetal
 
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).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: not used anymore
 
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
 
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
 
Safety in Use Information:
Category: flavoring agents
IFRA Critical Effect: 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
 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
 
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
 
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
 
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 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
 
Potential Blenders and core components note
For Odor
fatty
3-
decen-2-one
FL/FR
fermented
hexanal diethyl acetal
FL/FR
floral
gamma-
damascone
FR
alpha-
damascone
FL/FR
(Z)-alpha-
damascone
FL/FR
methyl citronellate
FL/FR
fruity
allyl heptanoate
FL/FR
allyl propionate
FL/FR
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl isovalerate
FL/FR
iso
butyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
cyclohexyl isovalerate
FL/FR
(E)-alpha-
damascone
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl 3-methyl valerate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
geranyl 2-methyl butyrate
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl formate
FL/FR
methyl butyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
nonyl isovalerate
FL/FR
iso
propyl isobutyrate
FL/FR
propyl isovalerate
FL/FR
iso
propyl isovalerate
FL/FR
green
butyl heptanoate
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbascone (IFF)
FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal diethyl acetal
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
pineapple heptadienone 10%
FR
propyl tiglate
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
waxy
ethyl decanoate
FL/FR
woody
marine formate
FR
For Flavor
No flavor group found for these
amyl 2-methyl butyrate
FL/FR
amyl isobutyrate
FL/FR
amyl isovalerate
FL/FR
cyclohexyl butyrate
FL/FR
(Z)-alpha-
damascone
FL/FR
ethyl 3-methyl valerate
FL/FR
geranyl 2-methyl butyrate
FL/FR
heptyl 2-methyl butyrate
FL
hexanal diethyl acetal
FL/FR
(Z)-3-
hexenal diethyl acetal
FL/FR
nonyl isovalerate
FL/FR
iso
propyl isobutyrate
FL/FR
iso
propyl isovalerate
FL/FR
propyl isovalerate
FL/FR
propyl tiglate
FL/FR
alliaceous
alliaceous
allyl propionate
FL/FR
floral
methyl citronellate
FL/FR
fruity
allyl heptanoate
FL/FR
iso
amyl valerate
FL/FR
apple ketal
FL/FR
benzyl isovalerate
FL/FR
benzyl propionate
FL/FR
butyl heptanoate
FL/FR
butyl isovalerate
FL/FR
cyclohexyl isovalerate
FL/FR
alpha-
damascone
FL/FR
(E)-alpha-
damascone
FL/FR
ethyl 2-methyl butyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl valerate
FL/FR
fruity ketal
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
methyl isovalerate
FL/FR
methyl valerate
FL/FR
fusel
methyl butyrate
FL/FR
green
iso
butyl isovalerate
FL/FR
3-
decen-2-one
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
geranyl isovalerate
FL/FR
(Z)-3-
hexen-1-yl 2-methyl butyrate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
3-
hexenyl 2-methyl butyrate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl formate
FL/FR
hexyl isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
sulfurous
ethyl methyl mercaptopropionate
FL/FR
waxy
ethyl decanoate
FL/FR
 
Potential Uses:
FLapple
FRfruit
 
Occurrence (nature, food, other):note
 found in nature
 
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)-
 

Articles:

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Notes:
Used as a food additive [EAFUS]
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