phenyl acetaldehyde ethylene glycol acetal 101-49-5

phenyl acetaldehyde ethylene glycol acetal

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IUPAC name :

2-(phenylmethyl)-1,3-dioxolane

InChI :

InChI=1/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2

InChIKey :

SSZACLYPEFCREM-UHFFFAOYAU

SMILES :

C1COC(O1)CC2=CC=CC=C2

cas number :	101-49-5
(EINECS) number :	202-946-1
beilstein number :	0117974
molar refractivity :	46.21 ± 0.3 cm3
parachor :	380.4 ± 4.0 cm3
index of refraction :	1.532 ± 0.02
surface tension :	42.3 ± 3.0 dyne/cm
density :	1.101 ± 0.06 g/cm3
polarizability :	18.31 ± 0.5 10-24cm3
XlogP :	1.70
molecular weight :	164.2010800 (IUPAC)
formula :	C10 H12 O2
NMR Predictor :	Predict

export tariff code :

2911.00.5000

fda reg :

unspecified

Suppliers :

Inoue :

PHENYL ACETALDEHYDE EGA

Penta :

phenyl acetaldehyde ethylene glycol acetal

Tokyo Chemical Industry :

2-Benzyl-1,3-dioxolane
>96.0%(GC)

Vigon :

Phenyl Acetaldehyde Ethylene Glycol Acetal
Odor: FRESH-ROSY, LEAFY

organoleptics :

odor type :

green

odor strength :

medium

odor description :¹
at 100.00 %.

green waxy sweet honey hyacinth

odor sample from :

Nickstadt Moeller, Inc.

substantivity :

72 Hour(s)

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.08000 to 1.09000 @ 25.00 °C.

pounds per gallon - calc. :

8.987 to 9.070

refractive index :

1.51630 to 1.52630 @ 20.00 °C.

boiling point :

115.00 to 120.00 °C. @ 12.00 mm Hg

flash point :

226.00 °F. TCC ( 107.78 °C. )

logP (o/w) :

1.46

safety :

most important hazard(s) :

Xi - Irritant

R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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.

Oral Toxicity(LD50) :

Oral-Rat 2200.00 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 827, 1976.

Dermal Toxicity(LD50) :

Skin-Rabbit 2600.00 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 827, 1976.

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for phenyl acetaldehyde ethylene glycol acetal usage levels up to :

6.0000 % in the fragrance concentrate.

recommendation for phenyl acetaldehyde ethylene 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-(phenylmethyl)-1,3-dioxolane

(EINECS) number :

202-946-1

RTECS :

JH6768000 for 101-49-5

chemidplus :

000101495

EPA Substance Registry Services :

101-49-5

dtp/nci :

25480

references :

2-(phenylmethyl)-1,3-dioxolane

NIST Chemistry WebBook :

495861766

pubchem :

150642

Cosmetics :

Cosmetic uses :

perfuming agents

other :

reference :

Luebke, William tgsc, (1985)¹

CosIng :

cosmetic data

synonyms :
2-	benzyl dioxolane
2-	benzyl-1,3-dioxolane
	phenyl acetaldehyde ethylene acetal
	phenyl acetaldehyde ethylene glycol cyclic acetal
	phenyl acetaldehyde glycol acetal
2-(	phenyl methyl)-1,3-dioxolane
	phenylacetaldehyde ethylene glycol acetal
2-(	phenylmethyl)-1,3-dioxolane
soluble in :
	alcohol
insoluble in :
	water
stability :
	alkalis
(odor and/or flavor) blends with :
	acetaldehyde ethyl phenethyl acetal
	allyl cyclohexyl acetate
	allyl octanoate
iso	amyl benzoate
para-	anisyl alcohol
	benzyl methyl ether
	cinnamyl alcohol
	citrus carbaldehyde / methyl anthranilate schiff's base
para-	cresyl phenyl acetate
	cyclohexyl propionate
	decanal diethyl acetal
9-	decenoic acid
	dimethyl salicylate
	ethyl (E,Z)-2,4-decadienoate
	ethyl 2-octenoate
	ethyl hydrocinnamate
1-	furfuryl pyrrole
	galbanum ketone
	geranyl acetate
	grape butyrate
	green ether
	heptyl cinnamate
3-	heptyl dihydro-5-methyl-2(3H)-furanone
	heptyl formate
	hexanal diethyl acetal
(Z)-3-	hexen-1-yl formate
(E)-2-	hexen-1-yl isovalerate
	hexyl 2-furoate
	hexyl 2-methyl butyrate
	hexyl octanoate
	hexyl phenyl acetate
	hyacinth absolute
	hyacinth butanal
	hyacinth ether
	hydroxycitronellal
	hydroxycitronellal dimethyl acetal
	jasmin cyclopentanol
	kewda absolute
	kewda oil
	leafy acetal
	lily pentanal
	mango thiol
	melon nonenoate
	methyl 2-(methyl thio) butyrate
2-	methyl butyl 2-methyl butyrate
	methyl butyl phenyl acetate
(E)-	methyl geranate
2-	methyl heptanoic acid
	methyl octanoate
2-	methyl undecanal dimethyl acetal
	muguet undecadienal
	neryl butyrate
(E,Z)-3,6-	nonadien-1-yl acetate
3,6-	nonadien-1-yl acetate
2-	nonanol
(E)-2-	nonen-1-ol
(Z)-3-	nonen-1-ol
(Z)-6-	nonen-1-ol
	nonyl acetate
beta-	ocimene
	octanol
(E)-2-	octen-1-al
	octyl isobutyrate
	phenethyl formate
	phenethyl octanoate
	phenethyl salicylate
	phenoxyacetaldehyde 50% in benzyl alcohol
	phenyl acetaldehyde / methyl anthranilate schiff's base
	phenyl glycol diacetate
2-	phenyl propionaldehyde
2-	phenyl propionaldehyde dimethyl acetal
2-	phenyl propyl acetate
(R)-2-	phenyl propyl alcohol
2-	phenyl propyl alcohol
3-	phenyl propyl alcohol
3-	phenyl propyl formate
	phenyl propyl phenyl acetate
3-	phenyl propyl propionate
(E)-2-	phenyl-1(2)-propene-1-yl acetate
	propyl hexanoate
	reseda acetal
	rose butanoate
	styralyl alcohol
	tea acetate
(E)-2-	tetradecen-1-al
	tropical oxathiane
(odor and/or flavor) used in :
	cortex
	green
	hyacinth jacinthe
	lilac lilas syringa
	lily tiger lily
	linden blossom limeflower tilleul
	magnolia
	narcissus narcisse
natural occurrence in :
	not found in nature

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