2-hexanol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
(EINECS) number :210-971-4
cas number :626-93-7
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
 
 
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
 
 
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
 
 
export tariff code :unspecified
fda reg :unspecified
 
Suppliers :
Fontarome Chemical :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
logp : 1.75
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 115.00  °F.  TCC  ( 46.11 °C. )
recommendation for 2-hexanol usage levels up to :
  0.8000 % in the fragrance concentrate.
safety references :
EPI System :view
 
 
 hexan-2-ol
(EINECS) number :210-971-4
RTECS :MO8470000 for 626-93-7
chemidplus :000626937
EPA Substance Registry Services :626-93-7
NLM Chemical Carcinogenesis Research Information System :626-93-7
NLM Developmental and Reproductive Toxicity :626-93-7
NLM Env. Mutagen Info. Center :626-93-7
NLM GENetic TOXicology :626-93-7
dtp/nci :3706
 
 
 (2R)- (2R)-hexan-2-ol
chemidplus :026549246
EPA Substance Registry Services :26549-24-6
NLM Chemical Carcinogenesis Research Information System :26549-24-6
NLM Developmental and Reproductive Toxicity :26549-24-6
NLM Env. Mutagen Info. Center :26549-24-6
NLM GENetic TOXicology :26549-24-6
 
 
 (2S)-hexan-2-ol
chemidplus :052019780
EPA Substance Registry Services :52019-78-0
NLM Chemical Carcinogenesis Research Information System :52019-78-0
NLM Developmental and Reproductive Toxicity :52019-78-0
NLM Env. Mutagen Info. Center :52019-78-0
NLM GENetic TOXicology :52019-78-0
references :
 hexan-2-ol
fl. number :02.163
pubchem :155620
NIST Chemistry WebBook :2781941330
 (2R)- (2R)-hexan-2-ol
pubchem :718366
NIST Chemistry WebBook :2679118357
 (2S)-hexan-2-ol
pubchem :720249
NIST Chemistry WebBook :4028988012
other :
synonyms :
 hexan-2-ol
2-hexanol
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



information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2008 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 11/29/2008