2-ethyl-1-hexanol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-ethylhexan-1-ol
InChI :InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
InChIKey :YIWUKEYIRIRTPP-UHFFFAOYAU
SMILES :CCCCC(CC)CO
(EINECS) number :203-234-3
cas number :104-76-7
beilstein number :1719280
fema number :3151
coe number :11763
jecfa number :267
fl. number :02.082
molar refractivity :40.60 ± 0.3 cm3
parachor :364.5 ± 4.0 cm3
index of refraction :1.426 ± 0.02
surface tension :28.0 ± 3.0 dyne/cm
density :0.821 ± 0.06 g/cm3
polarizability :16.09 ± 0.5 10-24cm3
xlogp : 2.90
molecular weight : 130.2279200
formula :C8 H18 O
BioActivity Analysis :74812
 
 
IUPAC name :(2R)-2-ethylhexan-1-ol
InChI :InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKey :YIWUKEYIRIRTPP-MRVPVSSYBN
SMILES :CCCC[C@@H](CC)CO
cas number :104-76-7  (R)
molar refractivity :40.60 ± 0.3 cm3
parachor :364.5 ± 4.0 cm3
index of refraction :1.426 ± 0.02
surface tension :28.0 ± 3.0 dyne/cm
density :0.821 ± 0.06 g/cm3
polarizability :16.09 ± 0.5 10-24cm3
xlogp : 2.90
molecular weight : 130.2279200
formula :C8 H18 O
 
 
IUPAC name :(2S)-2-ethylhexan-1-ol
InChI :InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKey :YIWUKEYIRIRTPP-QMMMGPOBBL
SMILES :CCCC[C@H](CC)CO
cas number :104-76-7  (S)
molar refractivity :40.60 ± 0.3 cm3
parachor :364.5 ± 4.0 cm3
index of refraction :1.426 ± 0.02
surface tension :28.0 ± 3.0 dyne/cm
density :0.821 ± 0.06 g/cm3
polarizability :16.09 ± 0.5 10-24cm3
xlogp : 2.90
molecular weight : 130.2279200
formula :C8 H18 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
Suppliers :
Sigma-Aldrich-SAFC :2-Ethyl-1-hexanol
≥99%, Kosher
organoleptics :
odor type :citrus
odor strength :medium
odor description :
at 100.00 %.  		citrus fresh floral oily sweet
substantivity :16  Hour(s)
properties :
appearence :colorless to pale yellow clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83000 to 0.83400 @ 25.00 °C.
pounds per gallon - calc. : 6.906 to 6.940
refractive index :1.42900 to 1.43400 @ 20.00 °C.
melting point : -76.00 °C. @ 760.00 mm Hg
boiling point : 184.00 to 185.00 °C. @ 760.00 mm Hg
logp : 2.82
safety :
most important hazard(s) : Xn - Harmful.
Oral Toxicity(LD50) : Oral-Rat    3730.00  mg/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  1970.00  mg/kg    
flash point ( Deg. F. ) : 171.00  °F.  TCC  ( 77.22 °C. )
recommendation for 2-ethyl-1-hexanol usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for 2-ethyl-1-hexanol usage levels up to :
  10.0000 ppm in the flavor.
safety references :
EPI System :view
 
 
 2-ethylhexan-1-ol
(EINECS) number :203-234-3
RTECS :MP0350000 for 104-76-7
chemidplus :000104767
EPA Substance Registry Services :104-76-7
NLM Chemical Carcinogenesis Research Information System :104-76-7
NLM Developmental and Reproductive Toxicity :104-76-7
NLM Env. Mutagen Info. Center :104-76-7
NLM GENetic TOXicology :104-76-7
dtp/nci :9300
 (2R)-2-ethylhexan-1-ol
 (2S)-2-ethylhexan-1-ol
references :
 2-ethylhexan-1-ol
jecfa number :267
fl. number :02.082
pubchem :150810
NIST Chemistry WebBook :558667651
 (2R)-2-ethylhexan-1-ol
pubchem :43594606
 (2S)-2-ethylhexan-1-ol
pubchem :43594607
other :
synonyms :
2-ethyl hexan-1-ol
 ethyl hexanol
2-ethyl hexanol
2-ethyl hexyl alcohol
2-ethyl-1-hexanol
isooctyl alcohol
soluble in :
 alcohol
 water, 880 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
2-decalinyl formate
 mandarin oil uruguay
(±)-2,4,8-trimethyl-7-nonen-2-ol
(odor and/or flavor) used in :
 butter
 citrus
 floral
natural occurrence in :
butter
strawberry



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