2-pentyl-1-buten-3-one 63759-55-7

2-pentyl-1-buten-3-one

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IUPAC name :

3-methylideneoctan-2-one

InChI :

InChI=1/C9H16O/c1-4-5-6-7-8(2)9(3)10/h2,4-7H2,1,3H3

InChIKey :

VBZQKPYXKJXTHZ-UHFFFAOYAR

SMILES :

CCCCCC(=C)C(=O)C

(EINECS) number :	264-448-0
cas number :	63759-55-7
fema number :	3725
jecfa number :	1149
fl. number :	07.138
molar refractivity :	43.34 ± 0.3 cm3
parachor :	380.4 ± 4.0 cm3
index of refraction :	1.426 ± 0.02
surface tension :	25.6 ± 3.0 dyne/cm
density :	0.829 ± 0.06 g/cm3
polarizability :	17.18 ± 0.5 10-24cm3
xlogp :	2.80
molecular weight :	140.2227400
formula :	C9 H16 O

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor type :

fungal

odor strength :

high ,
recommend smelling in a 10.00 % solution or less

odor description :
at 10.00 % in dipropylene glycol.

musty mushroom

properties :

appearence :

pale yellow clear liquid

assay :

96.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.80800 - 0.81400 @ 25.00 °C.

pounds per gallon - calc. :

6.723 to 6.773

refractive index :

1.43700 - 1.44200 @ 20.00 °C.

boiling point :

81.00 °C. @ 31.00 mm Hg

boiling point :

197.00 - 198.00 °C. @ 760.00 mm Hg

logp :

2.72

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

160.00 °F. TCC ( 71.11 °C. )

recommendation for 2-pentyl-1-buten-3-one usage levels up to :

not for fragrance use.

safety links :

(EINECS) number :

264-448-0

chemidplus :

063759557

epa-srs :

63759-55-7

other :

references :

jecfa number :

1149

fl. number :

07.138

pubchem :

198848

synonyms :
3-	methylene octan-2-one
3-	methylene-2-octanone
3-	methylidene octan-2-one
2-	pentyl but-1-en-3-one
2-	pentyl-1-buten-3-one
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
(E)-	benzyl tiglate
	berry furanone
	butyl lactate
	butyl laevo-lactate
(E)-2-	decen-1-al
1-	decen-3-ol
	dehydrolinalool
	dibenzyl ether
	dimethyl sulfoxide
6,8-	dimethyl-2-nonanol
	earthy acetal
2-	ethyl fenchol
	geosmin
	geosmin
	heptanal cyclic acetal with glycerol
	heptanal glyceryl acetal
	herbal pyran
(Z)-3-	hexen-1-yl tiglate
	leaf acetal
	melon acetal
	methyl 10-undecenal
	methyl 2-furoate
	methyl laurate
tris(	methyl thio) methane
1-(	methyl thio)-2-butanone
	methyl thiol isovalerate
	methyl undecylenate
2-	naphthyl mercaptan
(Z)-3-	nonen-1-ol
1-	nonen-3-ol
	nonyl octanoate
1,8-	octane dithiol
3-	octanol
3-	octanone
3-	octen-2-ol
(3R)-1-	octen-3-ol
1-	octen-3-ol
1-	octen-3-one
1-	octen-3-yl butyrate
2-	octen-4-one
	octyl 2-furoate
	octyl acetate
iso	octyl acetate
	octyl propionate
(E)-2-	penten-1-ol
2-	pentyl-1-buten-3-one
	phenethyl butyl ether
	phenethyl furoate
	phenyl acetaldehyde dimethyl acetal
2-	phenyl propionaldehyde dimethyl acetal
2-	phenyl propionaldehyde ethylene glycol acetal
(odor and/or flavor) used in :
	mushroom
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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