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

citral ethylene glycol acetal
citracetal (Bedoukian)

Supplier Sponsors

Name:2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
CAS Number: 66408-78-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:266-344-0
XlogP3-AA:3.20 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Name:2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dioxolane
CAS Number: 66408-78-4 (E)Picture of molecule3D/inchi
Nikkaji Web:J2.137.384B
XlogP3-AA:3.20 (est)
Molecular Weight:196.28980000
Formula:C12 H20 O2
NMR Predictor:Predict (works with chrome or firefox)
Category: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
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.94200 to 0.95200 @ 25.00 °C.
Pounds per Gallon - (est).: 7.838 to 7.922
Refractive Index:1.47300 to 1.48300 @ 20.00 °C.
Boiling Point: 146.00 °C. @ 4.00 mm Hg
Vapor Pressure:0.029000 mm/Hg @ 25.00 °C. (est)
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): -5.729 (est)
Soluble in:
 alcohol
 water, 30.32 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
 
Organoleptic Properties:
Odor Type: citrus
Odor Strength:medium
Substantivity:12 hour(s) at 100.00 %
fresh floral lemon clean
Odor Description:at 100.00 %. fresh floral lemon clean
Luebke, William tgsc, (1989)
Odor sample from: Bedoukian Research, Inc.
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
CITRACETAL
Odor Description:A clean, lemony, floral odor
Stable in alkalis. Fresher than the nitrile.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
CITRACETAL
Odor: A clean, lemony, floral odor
Use: Stable in alkalis. Fresher than the nitrile.
BOC Sciences
For experimental / research use only.
1,3-Dioxolane,2-(2,6-dimethyl-1,5-heptadien-1-yl)-
 
Safety Information:
 
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 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 749, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 749, 1979.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for citral ethylene glycol acetal usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Recommendation for citral ethylene glycol acetal flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):66408-78-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :47922
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dioxolane
 
References:
 2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:66408-78-4
Pubchem (cid):47922
Pubchem (sid):34712862
 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dioxolane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:66408-78-4
Pubchem (cid):1615097
Pubchem (sid):187125
 
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
Export Tariff Code:2911.00.5000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
2-
methyl undecanal dimethyl acetal
FR
nonanal (aldehyde C-9)
FL/FR
(Z)-8-
undecenal
FR
camphoreous
fenchol
FL/FR
citrus
acetaldehyde citronellyl methyl acetal
FR
aldehydic nitrile
FR
beta-
bisabolol
FL/FR
cedrat peel oil
FL/FR
citral
FL/FR
citral / methyl anthranilate schiff's base
FR
citral diethyl acetal
FL/FR
citral dimethyl acetal
FL/FR
citral propylene glycol acetal
FL/FR
citronella oil ceylon
FL/FR
citronellyl nitrile
FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-yl acetate
FL/FR
citrus
floral fragrance
FR
homo
geranyl nitrile
FR
2-
heptanol
FL/FR
lemon hexadiene
FL/FR
lemon oil c.p. california
FL/FR
lemon oil c.p. furocoumarin reduced
FL/FR
lemon oil italy
FL/FR
lemon oil terpeneless
FL/FR
lemongrass oil
FL/FR
lemongrass oil guatemala
FL/FR
lemongrass oil morocco
FL/FR
litsea cubeba fruit oil
FL/FR
litsea cubeba oil terpeneless
FL/FR
methyl heptenone
FL/FR
(Z+E)-2-
methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehyde
FL/FR
neroli ketone
FR
ocimenol
FL/FR
petitgrain combava oil
FR
tetrahydrocitral
FL/FR
trimethyl cyclohexene
FR
verbena oil spain
FL/FR
verbena oil terpeneless
FL/FR
earthy
octyl phenyl acetate
FL/FR
floral
alpha-
amyl cinnamaldehyde dimethyl acetal
FL/FR
iso
amyl geranate
FR
autumn carboxylate
FR
bois de rose oil brazil
FL/FR
citronellyl benzoate
FL/FR
coranol (Firmenich)
FR
cyclohexyl ethyl alcohol
FL/FR
dihydrolinalool
FL/FR
dimethyl benzyl carbinol
FL/FR
3,6-
dimethyl-3-octanol
FL/FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
floral pyranol
FR
ho leaf oil
FR
ho wood oil
FR
hydroxycitronellol
FL/FR
lemon oil distilled
FL/FR
laevo-
linalool
FL/FR
dextro-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
linalyl anthranilate
FL/FR
muguet carboxaldehyde
FR
muguet shiseol
FL/FR
phenyl amyl alcohol
FL/FR
rhodinyl propionate
FL/FR
tetrahydrolinalool
FL/FR
fruity
amyl heptanoate
FL/FR
green
iso
decanal
FL/FR
herbal
canarium luzonicum gum
FL/FR
canarium luzonicum oil
FL/FR
marine
marine carbonitrile
FR
spicy
cubeb oil
FL/FR
terpenic
elemi resinoid
FL/FR
gamma-
terpinene
FL/FR
waxy
decyl acetate
FL/FR
woody
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
alpha-
terpinene
FL/FR
For Flavor
No flavor group found for these
alpha-
amyl cinnamaldehyde dimethyl acetal
FL/FR
cedrat peel oil
FL/FR
citral propylene glycol acetal
FL/FR
citronellyl benzoate
FL/FR
iso
decanal
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-yl acetate
FL/FR
ethyl linalyl ether
FL/FR
dextro-
linalool
FL/FR
4-
mercapto-4-methyl-2-pentanol
FL
(Z+E)-2-
methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehyde
FL/FR
ocimenol
FL/FR
octyl phenyl acetate
FL/FR
phenyl amyl alcohol
FL/FR
tetrahydrocitral
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
camphoreous
fenchol
FL/FR
citrus
beta-
bisabolol
FL/FR
citral
FL/FR
citral diethyl acetal
FL/FR
citral dimethyl acetal
FL/FR
citronella oil ceylon
FL/FR
lemon hexadiene
FL/FR
lemon oil c.p. california
FL/FR
lemon oil c.p. furocoumarin reduced
FL/FR
lemon oil distilled
FL/FR
lemon oil italy
FL/FR
lemon oil terpeneless
FL/FR
lemongrass oil
FL/FR
lemongrass oil guatemala
FL/FR
lemongrass oil morocco
FL/FR
linalool
FL/FR
laevo-
linalool
FL/FR
litsea cubeba fruit oil
FL/FR
verbena oil france
FL
verbena oil spain
FL/FR
verbena oil terpeneless
FL/FR
floral
bois de rose oil brazil
FL/FR
dihydrolinalool
FL/FR
linalyl anthranilate
FL/FR
muguet shiseol
FL/FR
tetrahydrolinalool
FL/FR
fruity
amyl heptanoate
FL/FR
2-
heptanol
FL/FR
rhodinyl propionate
FL/FR
green
canarium luzonicum gum
FL/FR
canarium luzonicum oil
FL/FR
cyclohexyl ethyl alcohol
FL/FR
elemi resinoid
FL/FR
linalool oxide
FL/FR
methyl heptenone
FL/FR
herbal
3,6-
dimethyl-3-octanol
FL/FR
lemon
litsea cubeba oil terpeneless
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
powdery
hydroxycitronellol
FL/FR
spicy
cubeb oil
FL/FR
terpenic
gamma-
terpinene
FL/FR
alpha-
terpinene
FL/FR
waxy
decyl acetate
FL/FR
 
Potential Uses:
FRbergamot
FRcitrus
FRfloral
FRgreen
FRlemon
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 citracetal (Bedoukian)
2-(2,6-dimethyl-1,5-heptadienyl)-1,3-dioxolane
2-(2,6-dimethylhepta-1,5-dien-1-yl)-1,3-dioxolane
2-(2,6-dimethylhepta-1,5-dienyl)-1,3-dioxolane
 

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