2-ethyl-2-heptenal

organoleptics properties safety references FEMA Index Home Page

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IUPAC name :

2-ethylhept-2-enal

InChI :

InChI=1/C9H16O/c1-3-5-6-7-9(4-2)8-10/h7-8H,3-6H2,1-2H3

InChIKey :

RKQKOUYEJBHOFR-UHFFFAOYAD

SMILES :

CCCC\C=C(\CC)C=O

cas number :	10031-88-6
fema number :	2438
coe number :	120
jecfa number :	1216
fl. number :	05.033
molar refractivity :	43.83 ± 0.3 cm3
parachor :	382.4 ± 4.0 cm3
index of refraction :	1.435 ± 0.02
surface tension :	26.9 ± 3.0 dyne/cm
density :	0.835 ± 0.06 g/cm3
polarizability :	17.37 ± 0.5 10-24cm3
XlogP :	3.00
molecular weight :	140.2227400
formula :	C9 H16 O
NMR Predictor :	Predict

IUPAC name :

(E)-2-ethylhept-2-enal

InChI :

InChI=1/C9H16O/c1-3-5-6-7-9(4-2)8-10/h7-8H,3-6H2,1-2H3/b9-7+

InChIKey :

RKQKOUYEJBHOFR-VQHVLOKHBB

SMILES :

CCCC\C=C(/CC)\C=O

cas number :	10031-88-6 (E)
molar refractivity :	43.83 ± 0.3 cm3
parachor :	382.4 ± 4.0 cm3
index of refraction :	1.435 ± 0.02
surface tension :	26.9 ± 3.0 dyne/cm
density :	0.835 ± 0.06 g/cm3
polarizability :	17.37 ± 0.5 10-24cm3
XlogP :	3.00
molecular weight :	140.2227400
formula :	C9 H16 O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

172.515

organoleptics :

odor type :

green

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

sharp green

properties :

appearence :

colorless clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.89100 to 0.89800 @ 25.00 °C.

pounds per gallon - calc. :

7.414 to 7.472

refractive index :

1.46000 to 1.46600 @ 20.00 °C.

boiling point :

55.00 to 60.00 °C. @ 4.00 mm Hg

acid value :

3.00 max. KOH/g

flash point :

138.00 °F. TCC ( 58.89 °C. )

logP (o/w) :

3.19

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) :

0.10 (μg/capita/day)

recommendation for 2-ethyl-2-heptenal usage levels up to :

not for fragrance use.

recommendation for 2-ethyl-2-heptenal usage levels up to :

2.0000 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

2-ethylhept-2-enal

chemidplus :

010031886

EPA Substance Registry Services :

10031-88-6

(E)-2-ethylhept-2-enal

references :

2-ethylhept-2-enal

fl. number :

05.033

jecfa number :

1216

pubchem :

10031-88-6

(E)-2-ethylhept-2-enal

pubchem :

197706

other :

synonyms :
2-	ethyl hept-2-enal
2-	ethyl-2-hepten-1-al
2-	ethyl-3-butyl acrolein
alpha-	ethyl-beta-butyl acrolein
2-	ethylhept-2-enal
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
2-	acetyl-2-thiazoline
iso	amyl heptanoate
	bark carbaldehyde
	butyl heptanoate
sec-	butyl-3-methyl but-2-ene thioate
	cedarwood oil lebanon
	champaca flower oil
	citronella oil
	citronellal / methyl anthranilate schiff's base
	coriander leaf oil
	cumin acetaldehyde
iso	cyclocitral
alpha-	decalactone
	dibutyl sulfide
2,5-	dimethyl pyrazine
3,7-	dimethyl-6-octenoic acid
2-	ethyl pyridine
3-(2-	furyl) acrolein
	green carbaldehyde
	green hexanal
2-	heptanol
(Z)-3-	hepten-1-ol
3-	hepten-2-one
2-	heptenoic acid
	heptyl heptanoate
	hexanal
	hexanal dihexyl acetal
(Z)-3-	hexen-1-al
(Z)-3-	hexen-1-yl formate
(Z)-3-	hexenoic acid
	lemongrass oil
	lilac acetaldehyde
	litsea cubeba oil
3-(	methyl thio) hexanal
2-	methyl-2-penten-1-al
	mimosa absolute
	muguet shiseol
(E,E)-3,5-	octadien-2-one
	octane nitrile
	palmarosa oil
	perillaldehyde
laevo-	perillaldehyde
	prenyl ethyl ether
	propylene acetal
	tetrahydrocitral
3,5,5-	trimethyl hexanol
natural occurrence in :
	not found in nature

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