(Z)-4-decen-1-al diethyl acetal

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IUPAC name :

(Z)-1,1-diethoxydec-4-ene

InChI :

InChI=1/C14H28O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h10-11,14H,4-9,12-13H2,1-3H3/b11-10-

InChIKey :

PJGNMGFVWOAXQU-KHPPLWFEBJ

SMILES :

CCCCC\C=C/CCC(OCC)OCC

cas number :	73545-19-4
% from :	92.00% to 99.90%
(EINECS) number :	277-533-2
molar refractivity :	70.41 ± 0.3 cm3
parachor :	613.0 ± 4.0 cm3
index of refraction :	1.441 ± 0.02
surface tension :	28.0 ± 3.0 dyne/cm
density :	0.857 ± 0.06 g/cm3
polarizability :	27.91 ± 0.5 10-24cm3
XlogP :	5.10
molecular weight :	228.3709200
formula :	C14 H28 O2

IUPAC name :

(E)-1,1-diethoxydec-4-ene

InChI :

InChI=1/C14H28O2/c1-4-7-8-9-10-11-12-13-14(15-5-2)16-6-3/h10-11,14H,4-9,12-13H2,1-3H3/b11-10+

InChIKey :

PJGNMGFVWOAXQU-ZHACJKMWBF

SMILES :

CCOC(CC\C=C\CCCCC)OCC

cas number :	73545-19-4 (E)
% from :	0.10% to 8.00%
molar refractivity :	70.41 ± 0.3 cm3
parachor :	613.0 ± 4.0 cm3
index of refraction :	1.441 ± 0.02
surface tension :	28.0 ± 3.0 dyne/cm
density :	0.857 ± 0.06 g/cm3
polarizability :	27.91 ± 0.5 10-24cm3
XlogP :	5.10
molecular weight :	228.3709200
formula :	C14 H28 O2

export tariff code :

2911.00.5000

fda reg :

unspecified

organoleptics :

odor type :

citrus

odor strength :

medium

odor description :
at 100.00 %.

bitter orange

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 % sum of isomers

Food Chemicals Codex Listed :

specific gravity :

0.84400 to 0.85400 @ 25.00 °C.

pounds per gallon - calc. :

7.023 to 7.106

refractive index :

1.43000 to 1.44000 @ 20.00 °C.

boiling point :

63.00 °C. @ 15.00 mm Hg

boiling point :

70.00 °C. @ 0.10 mm Hg

vapor pressure :

0.01300 mm/Hg @ 25.00 °C.

vapor density :

>1 ( Air = 1 )

flash point :

218.00 °F. TCC ( 103.33 °C. )

logP (o/w) :

5.12

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for (Z)-4-decen-1-al diethyl acetal usage levels up to :

2.0000 % in the fragrance concentrate.

recommendation for (Z)-4-decen-1-al diethyl acetal usage levels up to :

not for flavor use.

safety references :

EPI System :

view

EPA Chem. Sub. Inventory :

Yes

(Z)-1,1-diethoxydec-4-ene

(EINECS) number :

277-533-2

chemidplus :

073545194

EPA Substance Registry Services :

73545-19-4

(E)-1,1-diethoxydec-4-ene

references :

(Z)-1,1-diethoxydec-4-ene

pubchem :

752709

(E)-1,1-diethoxydec-4-ene

other :

synonyms :
cis-4-	decen-1-al diethyl acetal
(Z)-4-	decenal diethyl acetal
cis-4-	decenal diethyl acetal
(Z)-1,1-	diethoxy-4-decene
cis-1,1-	diethoxy-4-decene
(Z)-1,1-	diethoxydec-4-ene
	orange acetal
soluble in :
	alcohol
insoluble in :
	water
stability :
	alkalis
(odor and/or flavor) blends with :
	bigarade oxide
	blood orange oil
	cardamom liquid resin
	cassis bud oil
	citronellyl anthranilate
	citrus carbaldehyde / methyl anthranilate schiff's base
beta-	cubebene
	cyclamen aldehyde / methyl anthranilate schiff's base
	cyclohexyl anthranilate
2,4-	decadien-1-al
	decanal dimethyl acetal
3-	decanone
4-	decen-1-al
	decyl anthranilate
	dihydronootkatone
1,3-	dimethoxybenzene
	dimethyl anthranilate
2,4-	dimethyl-3-cyclohexene-1-methanyl acetate
	dodecane nitrile
(Z)-4-	dodecen-1-al
	ethyl ethyl anthranilate
	ethyl isobutyrate
	farnesene
	geranyl anthranilate
	geranyl formate
	heptanal cyclic ethylene acetal
	lime oil distilled terpeneless
	linalyl cinnamate
	linalyl phenyl acetate
	mandarin oil italy
	methyl anthranilate
beta-	naphthyl anthranilate
beta-	naphthyl methyl ether
beta-	naphthyl methyl ketone
	nerol
	neroli oil
	neroli oil CO2 extract
	nerolidyl acetate
	neryl isovalerate
2-	nonanol
	nootkatone
	octanal
	octanal glycol acetal
	orange fruit oil
	orange oil
	orange oil bitter
	orange oil terpeneless
	orange peel oil bitter china
	orange peel oil bitter italy
	orange peel oil bitter terpeneless
	orange peel oil sweet distilled
	petitgrain oil
(E)-2-	phenyl-1(2)-propene-1-yl acetate
iso	propyl anthranilate
alpha-	sinensal
	spruce oil white from cones
	tangerine oil
	terpinyl formate
2,5,9-	trimethyl-4,9-decadien-1-al
(E)-2-	undecen-1-al
	ylang ylang oil
(odor and/or flavor) used in :
	aldehydic
	citrus
	herbal
	orange bitter orange
	oriental
natural occurrence in :
	not found in nature

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