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
pherobase :view
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
Hofmen :Hexanol
99%, (naturals)
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
odor description³ :
Pungent, etherial, fusel oil, fruity and alcoholic, sweet with a green top note
taste description³ :
at 20.00 ppm.  		Green, fruity, apple-skin and oily
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 fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for hexanol flavor 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
Flavornet :111-27-3
Cosmetics :
Cosmetic uses : antifoaming agents
hydrotropics
perfuming agents
solvents
surfactants
other :
reference : Mosciano, Gerard P&F 18, No. 2, 38, (1993)³
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
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
potential blenders :
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde dihexyl acetalFL/FR
 acetaldehyde diisoamyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl tiglateFL
 amyl alcoholFL
isoamyl alcoholFL
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehyde diethyl acetalFR
 amyl formateFL/FR
isoamyl formateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 boronia absoluteFL/FR
 buchu mercaptanFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl alcoholFL
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 citronellyl propionateFL/FR
 cognac heptanoneFL/FR
 cognac oil whiteFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
gamma-damasconeFL/FR
alpha-decalactoneFL/FR
3-decen-2-oneFL/FR
9-decenoic acidFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL
6,8-dimethyl-2-nonanolFR
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl-4-butanolFL/FR
 furfuryl propionateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isovalerateFL/FR
 green dioxolaneFR
(E,E)-2,4-heptadien-1-olFL
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
 heptyl isobutyrateFL
 hexanal propylene glycol acetalFL/FR
2-hexen-1-alFL/FR
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
1-hexen-3-yl acetateFL/FR
 hexyl (E)-2-hexenoateFL/FR
 hexyl 2-butenoateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hexyl pivalateFL/FR
 hexyl propionateFL/FR
 lily propanolFR
 linalyl hexanoateFL/FR
 melon valerateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl 4-pentenoateFL
2-methyl butyl 2-methyl butyrateFL/FR
(E)-methyl geranateFL/FR
 methyl heptanoateFL
 methyl R-3-acetoxyhexanoateFL/FR
2-methyl valeraldehydeFL
 methyl valerateFL
3-methyl valeric acidFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL/FR
3-methyl-3-pentanolFL/FR
 nerolidyl isobutyrateFL/FR
(E,E)-3,5-octadien-2-oneFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
 papaya isobutyrateFL/FR
2-pentanolFL
(E)-2-penten-1-alFL
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl acetateFL
 propyl alcoholFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 rhubarb undecaneFR
 sorbyl isobutyrateFL/FR
 tagete oil indiaFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 thiogeraniolFL/FR
 tiglaldehydeFL/FR
 timber dioxolaneFR
 tricyclodecyl acetateFR
 tropical indeneFR
 tropical thiazoleFL
 violet dienyneFR
 woody acetateFR
potential uses :
 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% S
 apple juice  
 asparagus S
data pagebasil flower oil sweet @ trace% S
data pagebasil leaf oil sweet (ocimum basilicum) @ trace% S
data pagecananga leaf oil @ 10.2% S
data pagechampaca concrete @ 0.02% S
 cider  
 citronella java S
data pageclary sage oil greece @ 0.10% S
 cognac  
data pageeschweilera coriacea (a. p. dc.) mori flower oil brazil @ 4.30% S
 geranium  
 grape muscat grape  
data pageguava fruit headspace reunion @ 0.50% S
data pageguava fruit oil reunion @ 0.30% S
data pageheracleum paphlagonicum czeczott fruit oil turkey @ <0.10% S
data pagehyptis suaveolens (l.) poit. oil mali @ trace-0.10% S
data pagelaurel leaf oil turkey @ <0.10% S
 lavandin  
data pagelavandin oil abrialis @ 0.05% S
data pagelavandin oil grosso @ 0.02% S
data pagelavandin water (lavandula hydrida) @ 0.10% S
 lavender  
data pagelavender oil spike france @ 0.01% S
 lavender spike lavender S
data pagelavender spike water @ 0.03% S
data pagelavender water bulgaria @ 0.07% S
data pagemalpighia glabra l. fruit oil @ 0.30% S
PbMdmalus sieversii S
data pagemandarin oil italy @ 0.02% S
data pagementha longifolia (l.) huds. oil jordan @ trace% S
data pagenarcissus absolute @ 0.19% S
 orange bitter orange S
data pagepetitgrain grapefruit oil @ trace% S
data pagepetitgrain lime oil @ trace% S
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 0.10% S
data pagerose oil otto bulgaria @ 0.26% S
 rum  
data pagestar fruit oil cuba @ trace% S
 strawberry S
data pageviolet flower absolute @ % S
 violet leaf S
 wine  
data pagewitch hazel leaf oil @ 0.13% S



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