6-decenoic acid 85392-04-7

6-decenoic acid

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IUPAC name :

(E)-dec-6-enoic acid

InChI :

InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5H,2-3,6-9H2,1H3,(H,11,12)/b5-4+

InChIKey :

IZOFWCYKCWUJBY-SNAWJCMRBD

SMILES :

CCC\C=C\CCCCC(=O)O

cas number :	85392-04-7
(EINECS) number :	286-862-0
fema number :	3742
molar refractivity :	49.99 ± 0.3 cm3
parachor :	439.0 ± 4.0 cm3
index of refraction :	1.462 ± 0.02
surface tension :	33.9 ± 3.0 dyne/cm
density :	0.936 ± 0.06 g/cm3
polarizability :	19.82 ± 0.5 10-24cm3
XlogP :	3.60
molecular weight :	170.2487200
formula :	C10 H18 O2
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor strength :

high ,
recommend smelling in a 10.00 % solution or less

odor description :

milky buttery

properties :

assay :

90.00 to 100.00 %

Food Chemicals Codex Listed :

boiling point :

270.00 to 272.00 °C. @ 760.00 mm Hg

flash point :

339.00 °F. TCC ( 170.56 °C. )

logP (o/w) :

3.52

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for 6-decenoic acid usage levels up to :

2.0000 % in the fragrance concentrate.

safety references :

EPI System :

view

EPA Chem. Sub. Inventory :

Yes

(E)-dec-6-enoic acid

(EINECS) number :

286-862-0

chemidplus :

085392047

EPA Substance Registry Services :

85392-04-7

references :

(E)-dec-6-enoic acid

pubchem :

199627

other :

synonyms :
(E)-	dec-6-enoic acid
(E)-6-	decenoic acid
soluble in :
	alcohol
insoluble in :
	water
stability :
(odor and/or flavor) blends with :
	acetoin acetate
	acetyl isobutyryl
	acetyl propionyl
	butyl butyryl lactate
	butyl laevo-lactate
	butyl octanoate
2-	butyl thiophene
	butyroin
	cinnamyl benzoate
	coffee furanone
gamma-	decalactone
	diacetyl
	diacetyl trimer
alpha,alpha-	dimethyl anisyl acetone
delta-	dodecalactone
	ethyl lactate
	ethyl palmitate
2-	ethyl pyrazine
	ethyl undecanoate
laevo-	glutamine
2,3-	heptane dione
3,4-	hexane dione
(Z)-3-	hexen-1-yl butyrate
	ivy dioxolane
	jasmin pyranone
	linalyl butyrate
	massoia lactone
	methyl 2-thiofuroate
3-	methyl butyl 2-furyl butyrate
dextro,laevo-3-(	methyl thio) butanone
3-(	methyl thio) hexanal
delta-	nonalactone
gamma-	nonalactone
(E)-2-	pentenoic acid
	prenyl isobutyrate
	sodium 4-methyl-2-oxovalerate
delta-	tetradecalactone
3-	tetrahydrothiophenone
2-	tridecanone
(E,E)-2,4-	undecadien-1-al
	vanillic acid
(odor and/or flavor) used in :
	butter
natural occurrence in :
	not found in nature

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