undecanal (aldehyde C-11 undecylic)

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IUPAC name :

undecanal

InChI :

InChI=1/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3

InChIKey :

KMPQYAYAQWNLME-UHFFFAOYAE

(EINECS) number :	203-972-6
cas number :	112-44-7
beilstein number :	1753213
fema number :	3092
coe number :	121
jecfa number :	107
fl. number :	05.034
molar refractivity :	53.19 ± 0.3 cm3
parachor :	478.6 ± 4.0 cm3
index of refraction :	1.426 ± 0.02
surface tension :	28.3 ± 3.0 dyne/cm
density :	0.820 ± 0.06 g/cm3
polarizability :	21.08 ± 0.5 10-24cm3
xlogp :	5.10
molecular weight :	170.2917800
formula :	C11 H22 O
BioActivity Analysis :	48414880

fda reg :

172.515

h. number :

2912.30.0000

organoleptics :

odor type :

aldehydic

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :
at 1.00 % in dipropylene glycol.

waxy soapy floral aldehydic citrus green fatty fresh laundry

taste description³ :

at 5.00 - 20.00 ppm.
Waxy, aldehydic, soapy with a citrus note and slight laundry detergent nuance

substantivity :

51 hour(s) at 100.00 %

properties :

appearence :

colorless to pale yellow clear liquid

assay :

97.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.82500 - 0.83300 @ 25.00 °C.

pounds per gallon - calc. :

6.865 to 6.931

specific gravity :

0.82600 - 0.83400 @ 20.00 °C.

pounds per gallon - calc. :

6.881 to 6.948

refractive index :

1.43000 - 1.43400 @ 20.00 °C.

boiling point :

109.00 - 115.00 °C. @ 5.00 mm Hg

boiling point :

223.00 °C. @ 760.00 mm Hg

acid value :

5.00 max. KOH/g

logp :

4.25

safety :

most important hazard(s) :

Xi - Irritant

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

flash point ( Deg. F. ) :

205.00 °F. TCC ( 96.11 °C. )

recommendation for undecanal (aldehyde C-11 undecylic) usage levels up to :

1.0000 % in the fragrance concentrate.

recommendation for undecanal (aldehyde C-11 undecylic) usage levels up to :

20.0000 ppm in the flavor.

safety links :

(EINECS) number :

203-972-6

rtecs :

YQ1500000 for 112-44-7

chemidplus :

000112447

epa-srs :

112-44-7

dtp/nci :

22578

other :

references :

jecfa number :

107

fl. number :

05.034

pubchem :

151316

NIST Chemistry WebBook :

2730019120

reference :

Mosciano, Gerard P&F 26, No. 2, 40, (2001)³

synonyms :
	aldehyde C-11 undecylic
	hendecanal
	hendecanaldehyde
	undecanal
1-	undecanal
N-	undecanal
alpha-	undecanone
	undecyl aldehyde
N-	undecyl aldehyde
	undecylic aldehyde
soluble in :
	dipropylene glycol
	fixed oils
	propylene glycol
insoluble in :
	water
	glycerin
stability :
	antiperspirant roll-on
	cream
	deodorant spray
	hair spray
	non-discoloring in most media
	permanent wave lotion
	powder
	shampoo
	soap
(odor and/or flavor) blends with :
	oakmoss absolute - fixer
	orris absolute - fixer
	patchouli oil - fixer
	rose butanoate
	sandalwood oil - fixer
(odor and/or flavor) used in :
	amber
	banana
	cassie acacia farnesiana
	cherry blossom
	citrus
	clean
	cloth clean cloths
	floral
	grapefruit
	herbal
	hibiscus
	honey miel
	incense
	leather russian leather
	lemon
	mandarin
	melon watermelon muskmelon cantaloupe
	milk
	nut
	orange
	orris iris
	peel
	rose
	topnotes
	tropical
	wallflower giroflee
natural occurrence in :
	beef cooked beef
data page	bergamot oil @ 0.004-0.024%
data page	blood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.012%
data page	blood orange oil (citrus sinensis l. var. tarocco) italy @ 0.009%
data page	blood orange oil italy @ 0.010%
data page	boronia absolute @ 0.05%
	butter
data page	cabocla flower oil brazil @ 0.30%
	caviar
data page	cerastium candidissimum corr. oil greece @ 9.00%
	chicken
data page	cistus oil @ 0.2%
	coriander leaf
data page	coriander leaf oil @ 2.14-2.31%
data page	coriander seed oil cuba @ 0.10%
	cucumber
	fish
	grapefruit juice
data page	grapefruit oil c.p. @ 0.10%
data page	grapefruit oil c.p. russia @ 0.02%
data page	grapefruit oil CO2 extract @ 0.09%
data page	herniaria incana lam. oil greece @ 0.90%
	lamb
	lemon
data page	lemon oil california @ 0.03%
data page	lime oil distilled mexico @ 0.03%
data page	lime oil distilled peru @ 0.01%
data page	lime oil expressed florida @ trace%
data page	mandarin oil uruguay @ 0.02%
data page	mikan peel oil @ 0.01%
	milk
data page	narcissus absolute @ 0.20%
data page	orange oil c.p. brazil @ 0.02-0.04%
data page	orange oil terpeneless @ 0.90%
data page	orange peel oil bitter china @ trace%
data page	orange peel oil sweet c.p. blond italy @ 0.010%
data page	orange peel oil sweet c.p. blond italy @ 0.012%
data page	orange peel oil sweet c.p. blond italy @ 0.014%
data page	orange peel oil sweet c.p. blond italy @ 0.015%
data page	orange peel oil sweet c.p. blond italy @ 0.016%
data page	orange peel oil sweet c.p. florida @ 0.01%
data page	orange peel oil sweet c.p. valencia @ 0.02%
	peanut
	pork
data page	star fruit oil cuba @ trace%
data page	tangerine oil america @ 0.03%
data page	thyme oil wild or creeping pakistan @ 0.23%
data page	witch hazel leaf oil @ 0.42%
data page	wormseed oil spain @ 0.14%
data page	yuzu leaf oil @ 0.07-0.08%

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