para-cresyl laurate 10024-57-4

para-cresyl laurate

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IUPAC name :

(4-methylphenyl) dodecanoate

InChI :

InChI=1/C19H30O2/c1-3-4-5-6-7-8-9-10-11-12-19(20)21-18-15-13-17(2)14-16-18/h13-16H,3-12H2,1-2H3

InChIKey :

GRSHNQARIXQRDQ-UHFFFAOYAK

SMILES :

CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C

cas number :	10024-57-4
(EINECS) number :	233-024-7
fema number :	3076
coe number :	378
jecfa number :	704
fl. number :	09.102
molar refractivity :	88.74 ± 0.3 cm3
parachor :	744.2 ± 4.0 cm3
index of refraction :	1.487 ± 0.02
surface tension :	33.9 ± 3.0 dyne/cm
density :	0.941 ± 0.06 g/cm3
polarizability :	35.18 ± 0.5 10-24cm3
XlogP :	7.60
molecular weight :	290.4403000
formula :	C19 H30 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

172.515

organoleptics :

odor type :

floral

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

floral sweet nutty vanilla

properties :

appearence :

colorless clear oily liquid

assay :

96.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.94600 to 0.95200 @ 25.00 °C.

pounds per gallon - calc. :

7.872 to 7.922

refractive index :

1.49400 to 1.50000 @ 20.00 °C.

boiling point :

376.00 to 377.00 °C. @ 760.00 mm Hg

flash point :

261.00 °F. TCC ( 127.22 °C. )

logP (o/w) :

7.33

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

ND (μg/capita/day)

Maximised Survey-derived Daily Intakes (MSDI-USA) :

0.30 (μg/capita/day)

recommendation for para-cresyl laurate usage levels up to :

0.8000 % in the fragrance concentrate.

recommendation for para-cresyl laurate usage levels up to :

2.5000 ppm in the flavor.

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

EPI System :

view

Canada Domestic Sub. List :

Yes

(4-methylphenyl) dodecanoate

(EINECS) number :

233-024-7

chemidplus :

010024574

EPA Substance Registry Services :

10024-57-4

references :

(4-methylphenyl) dodecanoate

fl. number :

09.102

jecfa number :

704

pubchem :

197693

other :

synonyms :
para-	cresyl dodecanoate
	dodecanoic acid 4-methyl phenyl ester
	lauric acid para-tolyl ester
4-	methyl phenyl dodecanoate
para-	methyl phenyl dodecanoate
(4-	methylphenyl) dodecanoate
para-	tolyl dodecanoate
para-	tolyl laurate
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
iso	amyl nonanoate
alpha-	angelica lactone
para-	anisyl formate
	benzyl benzoate
	cedarwood oil virginia
	coumane
	coumarin
	cypress absolute
(Z)-3-	hexen-1-yl benzoate
	lily absolute
para-	methoxycinnamaldehyde
	propyl benzoate
	sandalwood oil
(odor and/or flavor) used in :
	balsam
	cream
	fat
	nut
	vanilla
natural occurrence in :
	not found in nature

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