para-methyl cinnamaldehyde

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IUPAC name :

3-(4-methylphenyl)prop-2-enal

InChI :

InChI=1/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3

InChIKey :

DKOUYOVAEBQFHU-UHFFFAOYAO

SMILES :

CC1=CC=C(C=C1)C=CC=O

cas number :	1504-75-2
fema number :	3640
coe number :	10352
jecfa number :	682
fl. number :	05.122
molar refractivity :	47.15 ± 0.3 cm3
parachor :	356.7 ± 4.0 cm3
index of refraction :	1.568 ± 0.02
surface tension :	37.6 ± 3.0 dyne/cm
density :	1.015 ± 0.06 g/cm3
polarizability :	18.69 ± 0.5 10-24cm3
XlogP :	2.40
molecular weight :	146.1858000
formula :	C10 H10 O
NMR Predictor :	Predict

IUPAC name :

(E)-3-(4-methylphenyl)prop-2-enal

InChI :

InChI=1/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3/b3-2+

InChIKey :

DKOUYOVAEBQFHU-NSCUHMNNBT

SMILES :

CC1=CC=C(C=C1)\C=C\C=O

cas number :	1504-75-2 (E)
molar refractivity :	47.15 ± 0.3 cm3
parachor :	356.7 ± 4.0 cm3
index of refraction :	1.568 ± 0.02
surface tension :	37.6 ± 3.0 dyne/cm
density :	1.015 ± 0.06 g/cm3
polarizability :	18.69 ± 0.5 10-24cm3
XlogP :	2.40
molecular weight :	146.1858000
formula :	C10 H10 O
BioActivity Analysis :	48318556
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

172.515

organoleptics :

odor type :

spicy

odor strength :

medium ,
recommend smelling in a 10.00 % solution or less

odor description :
at 10.00 % in dipropylene glycol.

spicy cinnamon

properties :

appearence :

pale yellow to yellow crystals

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

melting point :

41.50 to 43.00 °C. @ 760.00 mm Hg

boiling point :

154.00 °C. @ 25.00 mm Hg

acid value :

5.00 max. KOH/g

flash point :

201.00 °F. TCC ( 93.89 °C. )

logP (o/w) :

2.58

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) :

0.012 (μg/capita/day)

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

0.90 (μg/capita/day)

recommendation for para-methyl cinnamaldehyde usage levels up to :

8.0000 % in the fragrance concentrate.

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

3-(4-methylphenyl)prop-2-enal

chemidplus :

001504752

EPA Substance Registry Services :

1504-75-2

(E)-3-(4-methylphenyl)prop-2-enal

references :

3-(4-methylphenyl)prop-2-enal

fl. number :

05.122

jecfa number :

682

NIST Chemistry WebBook :

1504752

pubchem :

203780

(E)-3-(4-methylphenyl)prop-2-enal

pubchem :

48318556

other :

synonyms :
4-	methyl cinnamaldehyde
3-para-	methyl phenyl propenal
(E)-3-(4-	methyl phenyl) prop-2-enal
3-(para-	methyl phenyl) propenal
3-(4-	methyl phenyl)-2-propenal
3-(4-	methylphenyl)prop-2-enal
3-para-	tolyl propenal
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	benzylidene acetone
	canella bark oil
	cassia bark oil
	cassia leaf oil china
	cassia oleoresin
	cinnamaldehyde
(E)-	cinnamaldehyde
(Z)-	cinnamaldehyde
	cinnamaldehyde / methyl anthranilate schiff's base
	cinnamaldehyde ethylene glycol acetal
	cinnamon acrolein
	cinnamon bark oil
	cinnamon leaf oil
	cinnamon oleoresin
	cinnamyl acetate
	cinnamyl cinnamate
	cinnamyl nitrile
(E)-	cinnamyl nitrile
	cyperus root oil
iso	eugenyl phenyl acetate
	furfural acetone
2-	furfurylidene butyraldehyde
(E,E)-2,4-	heptadien-1-al
(E)-para-	methoxycinnamaldehyde
ortho-	methoxycinnamaldehyde
para-	methoxycinnamaldehyde
alpha-	methyl cinnamaldehyde
	methyl cinnamate
	methyl eugenol
	methyl heptadienone
	myrtenal
	phenoxyethanol
2-	phenoxyethyl formate
3-	phenyl propyl acetate
	pimenta leaf oil
(odor and/or flavor) used in :
	cassia
	cinnamon
	estragon
	oriental
	spice
natural occurrence in :
	not found in nature

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