octanal glycol acetal 4359-57-3

octanal glycol acetal

organoleptics properties safety references cosmetics Home Page

Notes :

Blends well with citrus topnotes.

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IUPAC name :

2-heptyl-1,3-dioxolane

InChI :

InChI=1/C10H20O2/c1-2-3-4-5-6-7-10-11-8-9-12-10/h10H,2-9H2,1H3

InChIKey :

LWJBQKKNODYJEI-UHFFFAOYAF

SMILES :

CCCCCCCC1OCCO1

cas number :	4359-57-3
(EINECS) number :	224-438-9
molar refractivity :	49.53 ± 0.3 cm3
parachor :	452.3 ± 4.0 cm3
index of refraction :	1.432 ± 0.02
surface tension :	31.5 ± 3.0 dyne/cm
density :	0.902 ± 0.06 g/cm3
polarizability :	16.63 ± 0.5 10-24cm3
XlogP :	3.40
molecular weight :	172.2646000
formula :	C10 H20 O2

export tariff code :

2911.00.5000

fda reg :

unspecified

organoleptics :

odor type :

citrus

odor strength :

medium ,
recommend smelling in a 10.00 % solution or less

odor description :¹
at 10.00 % in dipropylene glycol.

fresh citrus orange aldehydic fatty

odor sample from :

International Flavors & Fragrances Inc.

substantivity :

20 Hour(s)

properties :

appearence :

colorless clear liquid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.90100 to 0.90900 @ 25.00 °C.

pounds per gallon - calc. :

7.497 to 7.564

specific gravity :

0.90200 to 0.91000 @ 20.00 °C.

pounds per gallon - calc. :

7.514 to 7.581

refractive index :

1.43100 to 1.43600 @ 20.00 °C.

flash point :

187.00 °F. TCC ( 86.11 °C. )

logP (o/w) :

2.96

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for octanal glycol acetal usage levels up to :

10.0000 % in the fragrance concentrate.

recommendation for octanal glycol acetal usage levels up to :

not for flavor use.

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

2-heptyl-1,3-dioxolane

(EINECS) number :

224-438-9

chemidplus :

004359573

EPA Substance Registry Services :

4359-57-3

references :

2-heptyl-1,3-dioxolane

NIST Chemistry WebBook :

4201765876

pubchem :

655117

Cosmetics :

Cosmetic uses :

perfuming agents

other :

reference :

Luebke, William tgsc, (1993)¹

CosIng :

cosmetic data

synonyms :
	aldehyde C-8 glycol acetal
	cycloctal
2-	heptyl-1,3-dioxolane
	octanal ethylene glycol cyclic acetal
soluble in :
	alcohol
insoluble in :
	water
stability :
	alkalis
(odor and/or flavor) blends with :
	aldehydic nitrile
	blood orange oil
	cardamom liquid resin
2,4-	decadien-1-al
3-	decanone
(E)-4-	decen-1-al
(Z)-4-	decen-1-al
(Z)-7-	decen-1-al
4-	decen-1-al
(Z)-4-	decen-1-al diethyl acetal
	dodecane nitrile
(Z)-4-	dodecen-1-al
(Z)-3-	hexen-1-yl oxyacetaldehyde
	mandarin oil italy
	marine decadienal
	methyl octanoate
2-	nonanol
(E)-2-	nonen-1-al
	nootkatone
	octanal
	octanol
	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 c.p. california
	orange peel oil sweet c.p. china
	orange peel oil sweet c.p. egypt
	orange peel oil sweet c.p. florida
	orange peel oil sweet c.p. valencia
	orange peel oil sweet distilled
alpha-	sinensal
	tangerine oil
	undecanal
(E)-2-	undecen-1-al
(Z)-8-	undecen-1-al
10-	undecen-1-al
(odor and/or flavor) used in :
	cilantro
	citrus
	cologne
	kumquat
	orange
	orange bitter orange
	orange mock orange
natural occurrence in :
	not found in nature

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