hexanol

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IUPAC name :

hexan-1-ol

InChI :

InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

InChIKey :

ZSIAUFGUXNUGDI-UHFFFAOYAO

SMILES :

CCCCCCO

(EINECS) number :	203-852-3
eu annex :	603-059-00-6
cas number :	111-27-3
beilstein number :	0969167
fema number :	2567
coe number :	53
jecfa number :	91
fl. number :	02.005
molar refractivity :	31.38 ± 0.3 cm3
parachor :	287.5 ± 4.0 cm3
index of refraction :	1.415 ± 0.02
surface tension :	27.9 ± 3.0 dyne/cm
density :	0.816 ± 0.06 g/cm3
polarizability :	12.44 ± 0.5 10-24cm3
xlogp :	2.00
molecular weight :	102.1747600
formula :	C6 H14 O
BioActivity Analysis :	48421998

fda reg :

172.515
172.864

h. number :

2905.19.0020

organoleptics :

odor type :

herbal

odor strength :

medium ,
recommend smelling in a 10.00 % solution or less

odor description :
at 10.00 % in dipropylene glycol.

ethereal fusel oil fruity alcoholic sweet green

taste description³ :

at 20.00 ppm.
Green, fruity, apple-skin and oily

properties :

appearence :

colorless clear liquid

assay :

98.00 - 100.00 %

Food Chemicals Codex Listed :

Yes

specific gravity :

0.81600 - 0.82100 @ 25.00 °C.

pounds per gallon - calc. :

6.790 to 6.832

refractive index :

1.41800 @ 20.00 °C.

melting point :

-52.00 - -51.00 °C. @ 760.00 mm Hg

boiling point :

156.00 - 157.00 °C. @ 760.00 mm Hg

acid value :

2.00 max. KOH/g

logp :

2.03

safety :

most important hazard(s) :

Xn - Harmful.

Oral Toxicity(LD50) :

Oral-Rat 720.00 mg/kg

Dermal Toxicity(LD50) :

Skin-Rabbit 3100.00 ul/kg

flash point ( Deg. F. ) :

140.00 °F. TCC ( 60.00 °C. )

recommendation for hexanol usage levels up to :

1.0000 % in the fragrance concentrate.

recommendation for hexanol usage levels up to :

30.0000 ppm in the flavor.

safety links :

(EINECS) number :

203-852-3

rtecs :

MQ4025000 for 111-27-3

chemidplus :

000111273

epa-srs :

111-27-3

dtp/nci :

9254

other :

references :

pubchem :

151229

NIST Chemistry WebBook :

1797069342

reference :

Mosciano, Gerard P&F 18, No. 2, 38, (1993)³

synonyms :
	alcohol C-6
	amyl carbinol
	caproic alcohol
	caproyl alcohol
	hexan-1-ol
N-	hexan-1-ol
	hexanol
1-	hexanol
N-	hexanol
	hexyl alcohol
N-	hexyl alcohol
1-	hydroxyhexane
soluble in :
	alcohol
	water, 5900 mg/L @ 25C
(odor and/or flavor) used in :
	apple
	beer
	butter
	citronella
	cranberry
	fruit
	geranium
	lavandin
	lavender
	lavender spike lavender
	orange bitter orange
	pear
	strawberry
	tea
	tea green tea
	tomato
	violet
natural occurrence in :
data page	achillea tenuifolia lam. flower oil iran @ 0.10%
	apple juice
	asparagus
data page	basil flower oil sweet @ trace%
data page	basil leaf oil sweet (ocimum basilicum) @ trace%
data page	cananga leaf oil @ 10.2%
data page	champaca concrete @ 0.02%
	cider
	citronella java
data page	clary sage oil greece @ 0.10%
	cognac
data page	eschweilera coriacea (a. p. dc.) mori flower oil brazil @ 4.30%
	geranium
	grape muscat grape
data page	guava fruit headspace reunion @ 0.50%
data page	guava fruit oil reunion @ 0.30%
data page	heracleum paphlagonicum czeczott fruit oil turkey @ <0.10%
data page	hyptis suaveolens (l.) poit. oil mali @ trace-0.10%
data page	laurel leaf oil turkey @ <0.10%
	lavandin
data page	lavandin oil abrialis @ 0.05%
data page	lavandin oil grosso @ 0.02%
data page	lavandin water (lavandula hydrida) @ 0.10%
	lavender
data page	lavender oil spike france @ 0.01%
	lavender spike lavender
data page	lavender spike water @ 0.03%
data page	lavender water bulgaria @ 0.07%
data page	malpighia glabra l. fruit oil @ 0.30%
data page	mandarin oil italy @ 0.02%
data page	mentha longifolia (l.) huds. oil jordan @ trace%
data page	narcissus absolute @ 0.19%
	orange bitter orange
data page	petitgrain grapefruit oil @ trace%
data page	petitgrain lime oil @ trace%
data page	plectranthus glandulosus hook f. leaf oil cameroon @ 0.10%
data page	rose oil otto bulgaria @ 0.26%
	rum
data page	star fruit oil cuba @ trace%
	strawberry
data page	violet flower absolute @ %
	violet leaf
	wine
data page	witch hazel leaf oil @ 0.13%

information only - not sold by The Good Scents Company.

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