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
cas number :111-27-3
(EINECS) number :203-852-3
eu annex :603-059-00-6
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 (IUPAC)
formula :C6 H14 O
BioActivity Analysis :48421998
NMR Predictor :Predict
 
 
export tariff code :2905.19.0020
fda reg :172.515
172.864

Suppliers :
Advanced Biotech :hexyl alcohol
98% min. natural
Odor:  Green, Woody
Berje :Alcohol C-6
Cargill - Alfrebro :n-HEXANOL
natural, Kosher
Elan :hexyl alcohol
(natural), Kosher
Fleurchem :alcohol C-6
natural
Fleurchem :alcohol C-6
Frutarom :HEXANOL
≥98.00%, NI, Kosher
Odor:  Aldehydic, Fresh, Fruity, Green
Inoue :HEXANOL
John D. Walsh :Hexyl Alcohol
Mane :hexanol
Moellhausen :alcohol C6
98% min. natural kosher
Odor:  fresh, oily, slightly fruity, caprylic, fermented note
Moellhausen :alcohol C6
nature identical kosher
Mooreganics :Hexanol (Hexyl Alcohol)
Natural (Organic Compliant)
Penta :alcohol C-6
Penta :hexyl alcohol
natural
Sigma-Aldrich-SAFC :Hexyl alcohol
≥98%, FCC, Kosher
Odor:  green; herbaceous; woody; sweet
Sigma-Aldrich-SAFC :Hexyl alcohol
≥98%, natural, FCC, Kosher, FG
Odor:  green; herbaceous; woody; sweet
Symrise :Alcohol C 6
natural
Flavor:  green, sweet, leaf-, apple-like
Vigon :Alcohol C-6 Hexyl Alcohol
FCC
Vigon :Hexyl Alcohol
Natural

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

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.81600 to 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 to -51.00 °C. @ 760.00 mm Hg
boiling point : 156.00 to 157.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :0.92300 mm/Hg @ 25.00 °C.
vapor density :4.5 ( Air = 1 )
flash point : 140.00  °F.  TCC  ( 60.00 °C. )
logP (o/w) : 2.03

safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 1 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    720.00  mg/kg

Oral-Mouse    1950.00  mg/kg

intravenous-Mouse    103.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  3100.00  ul/kg

Inhalation Toxicity(LC50) :
  Inhalation-Rat  >1060.00  ppm/6H
  
 

safety in use :
 
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 references :
EPI System :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Cancer Citations :Search
Toxicology Citations :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2282
 
WGK Germany :1
 
 
 
 hexan-1-ol
(EINECS) number :203-852-3
RTECS :111-27-3
chemidplus :000111273
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :111-27-3
dtp/nci :9254

references :
 hexan-1-ol
fl. number :02.005
jecfa number :91
NIST Chemistry WebBook :1797069342
pubchem :151229

Cosmetics :
Cosmetic uses : antifoaming agents
hydrotropics
perfuming agents
solvents
surfactants

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 alcohol C-6
 amyl carbinol
 caproic alcohol
 caproyl alcohol
 hexan-1-ol
N-hexan-1-ol
1-hexanol
N-hexanol
 hexyl alcohol
N-hexyl alcohol
1-hydroxyhexane

soluble in :
 alcohol
 water, 5900 mg/L @ 25C

(odor and/or flavor) blends with :
 acetaldehyde benzyl 2-methoxyethyl acetal
 acetaldehyde dihexyl acetal
 acetaldehyde diisoamyl acetal
 acetaldehyde methyl hexyl acetal
 allyl amyl glycolate
 allyl butyrate
 allyl tiglate
 amyl alcohol
isoamyl alcohol
isoamyl benzoate
isoamyl butyrate
alpha-amyl cinnamaldehyde diethyl acetal
 amyl formate
isoamyl formate
 amyl hexanoate
isoamyl isovalerate
isoamyl octanoate
 berry pentadienoate
 boronia absolute
 buchu mercaptan
 butyl 2-methyl butyrate
 butyl alcohol
 butyl isobutyrate
isobutyl propionate
 cherry pentenoate
 citronellyl propionate
 cognac heptanone
 cognac oil white
beta-cyclocitral
2-cyclopentyl cyclopentanone
gamma-damascone
alpha-decalactone
3-decen-2-one
9-decenoic acid
 diethyl malonate
 dimethyl succinate
6,8-dimethyl-2-nonanol
(E,E)-2,4-dodecadien-1-ol
 ethyl (E)-2-hexenoate
 ethyl (E)-2-octenoate
 ethyl (E)-4-decenoate
 ethyl 2-cyclohexyl propionate
 ethyl 2-octenoate
 ethyl 3-acetoxyhexanoate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl acetoacetate
 ethyl methyl-para-tolyl glycidate
2-ethyl-4-butanol
 furfuryl propionate
(E)-geranyl acetone
 geranyl isovalerate
 green dioxolane
(E,E)-2,4-heptadien-1-ol
 heptanal cyclic ethylene acetal
2-heptanol
 heptyl isobutyrate
 hexanal propylene glycol acetal
2-hexen-1-al
(E)-2-hexen-1-al diethyl acetal
2-hexen-1-al diethyl acetal
2-hexen-1-ol
(Z)-3-hexen-1-yl (E)-2-hexenoate
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(E)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl acetate
2-hexen-1-yl acetate
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl hexanoate
(Z)-3-hexen-1-yl isobutyrate
(Z)-3-hexen-1-yl isovalerate
(E)-2-hexen-1-yl propionate
(E)-2-hexen-1-yl valerate
(Z)-3-hexen-1-yl valerate
1-hexen-3-yl acetate
 hexyl (E)-2-hexenoate
 hexyl 2-butenoate
 hexyl acetate
 hexyl butyrate
 hexyl isobutyrate
 hexyl isovalerate
 hexyl octanoate
 hexyl pivalate
 hexyl propionate
 lily propanol
 linalyl hexanoate
 melon valerate
 methyl (E)-2-hexenoate
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl 2-hexenoate
 methyl 2-undecynoate
 methyl 4-pentenoate
2-methyl butyl 2-methyl butyrate
(E)-methyl geranate
 methyl heptanoate
 methyl R-3-acetoxyhexanoate
2-methyl valeraldehyde
 methyl valerate
3-methyl valeric acid
(E)-2-methyl-2-octen-1-al
2-methyl-2-octen-1-al
3-methyl-3-pentanol
 nerolidyl isobutyrate
(E,E)-3,5-octadien-2-one
 octen-1-yl cyclopentanone
 octyl 2-methyl butyrate
 octyl butyrate
 papaya isobutyrate
2-pentanol
(E)-2-penten-1-al
2-pentyl furan
 phenoxyethyl isobutyrate
4-phenyl-2-butyl acetate
 pineapple pentenoate
 prenol
 prenyl ethyl ether
 prenyl hexanoate
isopropyl 2-methyl butyrate
 propyl acetate
 propyl alcohol
alpha-isopropyl phenyl acetaldehyde
 propylene acetal
 rhubarb undecane
 sorbyl isobutyrate
 tagete oil india
 tetrahydrofurfuryl butyrate
 thiogeraniol
 tiglaldehyde
 timber dioxolane
 tricyclodecyl acetate
 tropical indene
 tropical thiazole
 violet dienyne
 woody acetate

(odor and/or flavor) used in :
 antifoaming agents
 apple
 beer
 butter
 citronella
 cranberry
 fruit
 geranium
 hydrotropics
 lavandin
 lavender
 lavender spike lavender
 orange bitter orange
 pear
 solvents
 strawberry
 surfactants
 tea
 tea green tea
 tomato
 violet

natural occurrence in :
data pageachillea tenuifolia lam. flower oil iran @ 0.10%
apple juice
asparagus
data pagebasil flower oil sweet @ trace%
data pagebasil leaf oil sweet (ocimum basilicum) @ trace%
data pagecananga leaf oil @ 10.2%
data pagechampaca concrete @ 0.02%
cider
citronella java
data pageclary sage oil greece @ 0.10%
cognac
data pageeschweilera coriacea (a. p. dc.) mori flower oil brazil @ 4.30%
geranium
grape muscat grape
data pageguava fruit headspace reunion @ 0.50%
data pageguava fruit oil reunion @ 0.30%
data pageheracleum paphlagonicum czeczott fruit oil turkey @ <0.10%
data pagehyptis suaveolens (l.) poit. oil mali @ trace-0.10%
data pagelaurel leaf oil turkey @ <0.10%
lavandin
data pagelavandin oil abrialis @ 0.05%
data pagelavandin oil grosso @ 0.02%
data pagelavandin water (lavandula hydrida) @ 0.10%
lavender
data pagelavender oil spike france @ 0.01%
lavender spike lavender
data pagelavender spike water @ 0.03%
data pagelavender water bulgaria @ 0.07%
data pagemalpighia glabra l. fruit oil @ 0.30%
data pagemandarin oil italy @ 0.02%
data pagementha longifolia (l.) huds. oil jordan @ trace%
data pagenarcissus absolute @ 0.19%
orange bitter orange
data pagepetitgrain grapefruit oil @ trace%
data pagepetitgrain lime oil @ trace%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 0.10%
data pagerose oil otto bulgaria @ 0.26%
rum
data pagestar fruit oil cuba @ trace%
strawberry
data pageviolet flower absolute @ %
violet leaf
wine
data pagewitch hazel leaf oil @ 0.13%



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