octanol

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IUPAC name :

octan-1-ol

InChI :

InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChIKey :

KBPLFHHGFOOTCA-UHFFFAOYAH

SMILES :

CCCCCCCCO

(EINECS) number :	203-917-6
cas number :	111-87-5
fema number :	2800
coe number :	54
jecfa number :	97
fl. number :	02.006
molar refractivity :	40.64 ± 0.3 cm3
parachor :	367.1 ± 4.0 cm3
index of refraction :	1.427 ± 0.02
surface tension :	29.0 ± 3.0 dyne/cm
density :	0.823 ± 0.06 g/cm3
polarizability :	16.11 ± 0.5 10-24cm3
xlogp :	3.10
molecular weight :	130.2279200
formula :	C8 H18 O
BioActivity Analysis :	75195

fda reg :

172.230
172.515
172.864
175.105
175.300
177.1200
177.1390
178.3480

h. number :

2905.15.0000

organoleptics :

odor type :

waxy

odor strength :

medium ,
recommend smelling in a 10.00 % solution or less

odor description :
at 10.00 % in dipropylene glycol.

waxy green orange aldehydic fatty rose

taste description³ :

at 2.00 ppm.
Waxy, green, citrus, orange and aldehydic with a fruity nuance

substantivity :

92 Hour(s)

properties :

appearence :

colorless clear liquid

assay :

98.00 - 100.00 %

Food Chemicals Codex Listed :

Yes

specific gravity :

0.82200 - 0.83000 @ 25.00 °C.

pounds per gallon - calc. :

6.840 to 6.906

refractive index :

1.42900 - 1.43500 @ 20.00 °C.

melting point :

-16.00 - -15.00 °C. @ 760.00 mm Hg

boiling point :

194.00 - 196.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

logp :

3.00

safety :

most important hazard(s) :

N - Dangerous for the environment.

Oral Toxicity(LD50) :

Oral-Rat >3200.00 mg/kg

Dermal Toxicity(LD50) :

Skin-Guineapig >1.00 gm/kg

flash point ( Deg. F. ) :

178.00 °F. TCC ( 81.11 °C. )

recommendation for octanol usage levels up to :

2.0000 % in the fragrance concentrate.

recommendation for octanol usage levels up to :

60.0000 ppm in the flavor.

safety links :

(EINECS) number :

203-917-6

rtecs :

RH6550000 for 111-87-5

chemidplus :

000111875

epa-srs :

111-87-5

dtp/nci :

9823

other :

references :

pubchem :

151273

NIST Chemistry WebBook :

6055516

reference :

Mosciano, Gerard P&F 20, No. 3, 63, (1995)³

synonyms :
	alcohol C-8
	capryl alcohol
	caprylic alcohol
N-	caprylic alcohol
	heptyl carbinol
1-	hydroxyoctane
	octan-1-ol
N-	octan-1-ol
	octanol
1-	octanol
N-	octanol
	octyl alcohol
N-	octyl alcohol
pri-	octyl alcohol
soluble in :
	fixed oils
	propylene glycol
	water, 540 mg/L @ 25C
insoluble in :
	water
	glycerin
stability :
	non-discoloring in most media
	shampoo
(odor and/or flavor) blends with :
	dimethyl anthranilate
	ocean propanal
	rose butanoate
(odor and/or flavor) used in :
	apple
	apricot
	blossom
	butter
	coconut
	cranberry
	grapefruit
	green
	jasmin
	lemon
	lime
	melon watermelon muskmelon cantaloupe
	mushroom
	opoponax
	orange
	orange bitter orange
	parsnip
	peach
	quince
	rose
	tea green tea
	violet
	violet leaf
natural occurrence in :
data page	ambrette seed oil @ 0.10%
data page	bergamot oil @ 0.001-0.021%
data page	blood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.011%
data page	blood orange oil (citrus sinensis l. var. tarocco) italy @ 0.016%
data page	blood orange oil italy @ 0.027%
data page	boronia absolute @ 0.03%
data page	calamintha nepeta (l.) savi subsp. glandulosa oil greece @ trace%
data page	cassie absolute @ 0.03%
data page	champaca concrete @ 0.05%
data page	cornmint oil india @ 0.06%
data page	crithmum maritimum l. oil turkey @ <0.10%
data page	dialium guineense wild.fruit oil france @ 0.70%
data page	frankincense oil somalia @ 12.70%
data page	gingergrass oil @ 0.02%
data page	glycosmis pentaphylla (cor.) seed oil india @ 1.00%
	grapefruit
data page	grapefruit oil c.p. @ 0.14%
data page	grapefruit oil c.p. @ 0.14%
data page	grapefruit oil c.p. @ 0.16%
data page	grapefruit oil c.p. italy @ 0.07%
data page	grapefruit oil california @ 0.13%
data page	grapefruit oil CO2 extract @ 0.11%
data page	guava leaf oil cuba @ trace%
data page	heracleum candolleanum rhizome oil india @ 4.40%
data page	heracleum paphlagonicum czeczott fruit oil turkey @ 0.30%
data page	herniaria incana lam. oil greece @ 0.30%
data page	lime oil distilled mexico @ 0.02%
data page	lime oil distilled peru @ 0.02%
data page	lime oil expressed florida @ trace%
data page	mandarin oil avana @ 0.02%
data page	mandarin oil japan @ trace%
data page	mandarin oil uruguay @ trace-0.04%
data page	narcissus absolute @ 0.14%
	orange
	orange bitter orange
data page	orange oil c.p. brazil @ 0.08-0.11%
data page	orange oil terpeneless @ 2.90%
data page	orange peel oil bitter italy @ 0.33%
data page	orange peel oil sweet c.p. blond italy @ 0.013%
data page	orange peel oil sweet c.p. blond italy @ 0.013%
data page	orange peel oil sweet c.p. blond italy @ 0.022%
data page	orange peel oil sweet c.p. blond italy @ 0.023%
data page	orange peel oil sweet c.p. blond italy @ 0.026%
data page	orange peel oil sweet c.p. florida @ 0.03%
data page	orange peel oil sweet c.p. valencia @ 0.03%
data page	osmanthus absolute @ 0.02%
data page	palmarosa oil @ trace%
data page	stachys recta l. oil serbia @ 0.60%
data page	star fruit oil cuba @ 0.10%
data page	tangerine oil america @ trace%
	tea green tea
	violet leaf
data page	witch hazel leaf oil @ trace%
data page	yuzu leaf oil @ trace-0.03%

information only - not sold by The Good Scents Company.

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