2-hexanol
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IUPAC name :hexan-2-ol
InChI :InChI=1/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKey :QNVRIHYSUZMSGM-LURJTMIEBX
SMILES :CCCCC(C)O
cas number :626-93-7
(EINECS) number :210-971-4
beilstein number :1718996
coe number :11774
fl. number :02.163
molar refractivity :31.33 ± 0.3 cm3
parachor :284.9 ± 4.0 cm3
index of refraction :1.413 ± 0.02
surface tension :26.6 ± 3.0 dyne/cm
density :0.814 ± 0.06 g/cm3
polarizability :12.42 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 102.1747600
formula :C6 H14 O
NMR Predictor :Predict
 
 
IUPAC name :(2R)- (2R)-hexan-2-ol
InChI :InChI=1/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m1/s1
InChIKey :QNVRIHYSUZMSGM-ZCFIWIBFBZ
SMILES :CCCC[C@@H](C)O
cas number :26549-24-6
molar refractivity :31.33 ± 0.3 cm3
parachor :284.9 ± 4.0 cm3
index of refraction :1.413 ± 0.02
surface tension :26.6 ± 3.0 dyne/cm
density :0.814 ± 0.06 g/cm3
polarizability :12.42 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 102.1747600
formula :C6 H14 O
NMR Predictor :Predict
 
 
IUPAC name :(2S)-hexan-2-ol
InChI :InChI=1/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKey :QNVRIHYSUZMSGM-LURJTMIEBX
SMILES :CCCC[C@H](C)O
cas number :52019-78-0
molar refractivity :31.33 ± 0.3 cm3
parachor :284.9 ± 4.0 cm3
index of refraction :1.413 ± 0.02
surface tension :26.6 ± 3.0 dyne/cm
density :0.814 ± 0.06 g/cm3
polarizability :12.42 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 102.1747600
formula :C6 H14 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Fontarome :2-HEXANOL
Odor:  Herbaceous, pungent, terpenic, reminiscent of cauliflower
Penta :2-hexanol
Sigma-Aldrich-SAFC :2-Hexanol
≥98%
organoleptics :
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  		chemical winey
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.81000 @ 25.00 °C.
refractive index :1.41400 @ 20.00 °C.
boiling point : 136.00 to 139.00 °C. @ 760.00 mm Hg
vapor pressure :2.49000 mm/Hg @ 25.00 °C.
flash point : 115.00  °F.  TCC  ( 46.11 °C. )
logP (o/w) : 1.75
safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 2-hexanol usage levels up to :
  0.8000 % in the fragrance concentrate.
safety references :
EPI System :view
NIOSH International Chemical Safety Cards :search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2282
 
WGK Germany :1
 
 
 
 hexan-2-ol
(EINECS) number :210-971-4
RTECS :626-93-7
chemidplus :000626937
EPA Substance Registry Services :626-93-7
dtp/nci :3706
 
 
 (2R)- (2R)-hexan-2-ol
chemidplus :026549246
EPA Substance Registry Services :26549-24-6
 
 
 (2S)-hexan-2-ol
chemidplus :052019780
EPA Substance Registry Services :52019-78-0
references :
 hexan-2-ol
fl. number :02.163
NIST Chemistry WebBook :2781941330
pubchem :155620
 (2R)- (2R)-hexan-2-ol
NIST Chemistry WebBook :2679118357
pubchem :718366
 (2S)-hexan-2-ol
NIST Chemistry WebBook :4028988012
pubchem :720249
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 hexan-2-ol
2-hydroxyhexane
soluble in :
 alcohol
 water, 13700 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl nonanoate
isoamyl acetoacetate
isoamyl alcohol
isoamyl laurate
 amyl octanoate
isoamyl tiglate
2-amyl-5 or 6-keto-1,4-dioxane
 benzaldehyde dimethyl acetal
isobutyl acetoacetate
isobutyl alcohol
 butyl angelate
 butyl anthranilate
 butyl decanoate
isobutyl decanoate
 butyl hexanoate
 butyl undecylenate
isobutyraldehyde propylene glycol acetal
 chamomile oil
 cognac oil green
 cognac oil white
 decyl propionate
 diethyl 1-malate
 diethyl laevo-tartrate
 diethyl malate
 diethyl sebacate
 dimethyl anthranilate
 ethyl 3,5,5-trimethyl hexanoate
 ethyl aconitate
 ethyl butyrate
 ethyl chrysanthemate
 ethyl cyclopentenolone
 ethyl formate
 ethyl heptanoate
 ethyl nonanoate
 ethyl octanoate
 ethyl undecanoate
2-ethyl-4-butanol
 farnesyl acetone
 geranyl acetoacetate
4-heptanone
 hexanal diethyl acetal
(Z)-3-hexen-1-yl butyrate
(E)-2-hexen-1-yl valerate
 hexyl isobutyrate
 hexyl phenyl acetate
 methyl decanoate
 methyl hydrocinnamate
 methyl nonanoate
2-methyl-1-butanol
4-methyl-2-penten-1-al
 orange oil bitter
2-pentanone
 phenethyl senecioate
 propionaldehyde
 propyl heptanoate
 rose oil
 rum ether
 sorbyl butyrate
 sorbyl propionate
 terpinyl cinnamate
(odor and/or flavor) used in :
 herbal
 lavender
 pineapple
natural occurrence in :
data pageclary sage oil greece @ 0.10%
lavender
pineapple



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