4-methyl-2-penten-1-al

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IUPAC name :

4-methylpent-2-enal

InChI :

InChI=1/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3

InChIKey :

RIWPMNBTULNXOH-UHFFFAOYAO

SMILES :

CC(C)C=CC=O

cas number :	5362-56-1
(EINECS) number :	226-348-5
fema number :	3510
coe number :	10364
jecfa number :	1208
fl. number :	05.114
molar refractivity :	30.04 ± 0.3 cm3
parachor :	264.3 ± 4.0 cm3
index of refraction :	1.419 ± 0.02
surface tension :	24.4 ± 3.0 dyne/cm
density :	0.825 ± 0.06 g/cm3
polarizability :	11.91 ± 0.5 10-24cm3
XlogP :	1.80
molecular weight :	98.1430000
formula :	C6 H10 O
NMR Predictor :	Predict

IUPAC name :

(E)-4-methylpent-2-enal

InChI :

InChI=1/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3+

InChIKey :

RIWPMNBTULNXOH-ONEGZZNKBV

SMILES :

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

cas number :	5362-56-1 (E)
molar refractivity :	30.04 ± 0.3 cm3
parachor :	264.3 ± 4.0 cm3
index of refraction :	1.419 ± 0.02
surface tension :	24.4 ± 3.0 dyne/cm
density :	0.825 ± 0.06 g/cm3
polarizability :	11.91 ± 0.5 10-24cm3
XlogP :	1.80
molecular weight :	98.1430000
formula :	C6 H10 O
NMR Predictor :	Predict

IUPAC name :

(Z)-4-methylpent-2-enal

InChI :

InChI=1/C6H10O/c1-6(2)4-3-5-7/h3-6H,1-2H3/b4-3-

InChIKey :

RIWPMNBTULNXOH-ARJAWSKDBG

SMILES :

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

cas number :	5362-56-1 (Z)
molar refractivity :	30.04 ± 0.3 cm3
parachor :	264.3 ± 4.0 cm3
index of refraction :	1.419 ± 0.02
surface tension :	24.4 ± 3.0 dyne/cm
density :	0.825 ± 0.06 g/cm3
polarizability :	11.91 ± 0.5 10-24cm3
XlogP :	1.80
molecular weight :	98.1430000
formula :	C6 H10 O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Cargill - Alfrebro :

4-METHYL-2-PENTENAL
10% in MTCG, natural, Kosher

Fontarome :

4-METHYL 2 PENTENAL
Odor: Strong, green, fruity aldehyde

Penta :

4-methyl-2-pentenal

organoleptics :

odor type :

green

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

green apple aldehydic cognac woody

properties :

appearence :

colorless to pale yellow clear liquid

assay :

97.00 to 100.00 % sum of isomers

Food Chemicals Codex Listed :

specific gravity :

0.85800 to 0.86600 @ 25.00 °C.

pounds per gallon - calc. :

7.139 to 7.206

refractive index :

1.43500 to 1.44500 @ 20.00 °C.

boiling point :

126.00 to 130.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

flash point :

91.00 °F. TCC ( 32.78 °C. )

logP (o/w) :

1.39

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for 4-methyl-2-penten-1-al usage levels up to :

0.5000 % in the fragrance concentrate.

recommendation for 4-methyl-2-penten-1-al usage levels up to :

20.0000 ppm in the flavor.

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

4-methylpent-2-enal

(EINECS) number :

226-348-5

chemidplus :

005362561

EPA Substance Registry Services :

5362-56-1

(E)-4-methylpent-2-enal

(Z)-4-methylpent-2-enal

references :

4-methylpent-2-enal

fl. number :

05.114

jecfa number :

1208

pubchem :

164209

(E)-4-methylpent-2-enal

(Z)-4-methylpent-2-enal

other :

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
(E)-4-	methyl pent-2-enal
4-	methyl pent-2-enal
(E)-4-	methyl-2-penten-1-al
4-	methyl-2-pentenal
4-	methylpent-2-enal
soluble in :
	alcohol
	water, slightly
insoluble in :
	water
(odor and/or flavor) blends with :
	allyl cyclohexyl acetate
	allyl octanoate
iso	amyl hexanoate
iso	amyl isobutyrate
	apple ketal
iso	butyl decanoate
iso	butyl hexanoate
	butyl isovalerate
	butyl valerate
	chamomile oil
	cinnamyl isovalerate
	coriander leaf oil
	cumin acetaldehyde
iso	cyclocitral
	decyl propionate
	diethyl malonate
	ethyl (E)-2-decenoate
	ethyl 2-methyl butyrate
	ethyl 3-hexenoate
	ethyl 3,5,5-trimethyl hexanoate
	ethyl acetoacetate
	ethyl butyrate
	ethyl formate
	ethyl heptanoate
	ethyl undecanoate
2-	ethyl-4-butanol
	green acetate
	green carbaldehyde
4-	heptanone
	hexanal diethyl acetal
(E)-2-	hexen-1-al diethyl acetal
2-	hexen-1-al diethyl acetal
(Z)-3-	hexen-1-yl 2-methyl butyrate
(Z)-3-	hexen-1-yl butyrate
(E)-2-	hexen-1-yl valerate
	hexyl 2-butenoate
	hexyl acetate
	marigold pot absolute
	methyl 2-methyl butyrate
2-	methyl butyl isovalerate
	octane nitrile
	octyl isobutyrate
	orange oil bitter
	phenoxyethyl isobutyrate
	propyl hexanoate
	tagete oil india
	tetrahydrocitral
(odor and/or flavor) used in :
	apple
	cider
	cognac
	kiwi
	mango
	pear
	rum
	strawberry
	tomato
	whiskey
natural occurrence in :
	found in nature

information only - not sold by The Good Scents Company.

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