2-octanol
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :octan-2-ol
InChI :InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChIKey :SJWFXCIHNDVPSH-UHFFFAOYAI
SMILES :CCCCCCC(C)O
cas number :123-96-6
(EINECS) number :204-667-0
fema number :2801
coe number :71
jecfa number :289
fl. number :02.022
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 : 3.00
molecular weight : 130.2279200
formula :C8 H18 O
BioActivity Analysis :78845
NMR Predictor :Predict
 
 
IUPAC name :(2R)-octan-2-ol
InChI :InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKey :SJWFXCIHNDVPSH-MRVPVSSYBB
SMILES :CCCCCC[C@@H](C)O
cas number :5978-70-1
(EINECS) number :227-777-0
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 : 3.00
molecular weight : 130.2279200
formula :C8 H18 O
NMR Predictor :Predict
 
 
IUPAC name :(2S)-octan-2-ol
InChI :InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKey :SJWFXCIHNDVPSH-QMMMGPOBBZ
SMILES :CCCCCC[C@H](C)O
cas number :6169-06-8
(EINECS) number :228-213-6
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 : 3.00
molecular weight : 130.2279200
formula :C8 H18 O
NMR Predictor :Predict
 
 
export tariff code :2905.15.0000
fda reg :172.515
176.180
176.210
Suppliers :
Cargill - Alfrebro :2-OCTANOL
natural, Kosher
Penta :2-octanol
Penta :2-octanol
natural
Sigma-Aldrich-SAFC :2-Octanol
≥97%, Kosher
Odor:  oily; earthy
organoleptics :
odor type :spicy
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  		fresh spicy green woody herbal earthy
odor sample from :Nickstadt Moeller, Inc.
substantivity :12  Hour(s)
properties :
appearence :colorless clear oily liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.81000 to 0.82000 @ 25.00 °C.
pounds per gallon - calc. : 6.740 to 6.823
refractive index :1.41800 to 1.42800 @ 20.00 °C.
melting point : -38.00 to -37.00 °C. @ 760.00 mm Hg
boiling point : 179.00 to 181.00 °C. @ 760.00 mm Hg
vapor pressure :0.24200 mm/Hg @ 25.00 °C.
flash point : 160.00  °F.  TCC  ( 71.11 °C. )
logP (o/w) : 2.90
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    3200.00  mg/kg
(Patty et al., 1935)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :11.00 (μg/capita/day)
 
recommendation for 2-octanol usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for 2-octanol usage levels up to :
  4.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Cancer Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 octan-2-ol
(EINECS) number :204-667-0
RTECS :123-96-6
chemidplus :000123966
EPA Substance Registry Services :123-96-6
dtp/nci :14759
 
 
 (2R)-octan-2-ol
(EINECS) number :227-777-0
chemidplus :005978701
EPA Substance Registry Services :5978-70-1
 
 
 (2S)-octan-2-ol
(EINECS) number :228-213-6
chemidplus :006169068
EPA Substance Registry Services :6169-06-8
references :
 octan-2-ol
fl. number :02.022
jecfa number :289
NIST Chemistry WebBook :1647181739
pubchem :173324
 (2R)-octan-2-ol
NIST Chemistry WebBook :3658171028
pubchem :657066
 (2S)-octan-2-ol
NIST Chemistry WebBook :3381142930
pubchem :165200
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-capryl alcohol
sec-capryl alcohol
2-caprylic alcohol
sec-caprylic alcohol
 hexyl methyl carbinol
2-hydroxy-N-octane
2-hydroxyoctane
1-methyl heptyl alcohol
 methyl hexyl carbinol
1-methyl-1-heptanol
 octan-2-ol
(1)-octan-2-ol
N-octan-2-ol
2-octyl alcohol
beta-octyl alcohol
S-octyl alcohol
soluble in :
 alcohol
 dipropylene glycol
 water, 1120 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 amyl formate
 apple ketal
 basil oil
 basil oil CO2 sweet
 bergoxane
 bicyclogermacrene
 birch bud oil
 birch oil sweet america
 bornyl formate
isobornyl formate
 bornyl salicylate
isobutyl angelate
beta-cadinene
alpha-campholenic aldehyde
 carrot leaf oil
 carrot seed oil
 carrot seed oil spain
 carrot weed oil
4-carvomenthenol
 cinnamaldehyde dimethyl acetal
 cinnamyl alcohol
 coriander oleoresin
 cumin seed absolute
 currant bud absolute black
isocyclocitral
isocyclogeraniol
 cyperus root oil
 cypress oil
 dihydro-alpha-ionone
 dihydro-beta-ionone
isodihydrolavandulal
 dihydroxyacetophenone
 dill weed oil
 dill weed oil cuba
 dill weed oil reunion
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetate
 dodecanal dimethyl acetal
 elemi oil
alpha-elemol
 epoxy-2-decenal
beta-eudesmol
isoeugenyl formate
alpha-fenchol
dextro-fenchone
 fennel seed oil
 fern absolute
 fir balsam absolute
 fir needle oil
 fresh nitrile
 furfuryl hexanoate
 galbanum oil
 galbanum oleoresin
 galbanum resinoid
 geranium oil
 germacrene B
 green acetate
 guaiyl acetate
delta-heptalactone
 heptanal cyclic propylene acetal
 heptanol
3-heptanone
2-hepten-1-al
2-heptyl furan
 herbal norbornane
(E,E)-2,4-hexadien-1-al
 hexanal
(E)-2-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl (E)-2-hexenoate
alpha-hexyl cinnamaldehyde dimethyl acetal
 hop absolute
 hop oil
6-hydroxydihydrotheaspirane (mixture of isomers)
 karo karounde absolute
 linalool
 linalool oxide
 lychee mercaptan acetate
para-methyl hydratropaldehyde
bis(methyl thio) methane
alpha-methylene citronellal
 mimosa concrete france
 neroli ketone
(E,Z)-2,6-nonadien-1-al
(Z)-6-nonen-1-al
1-nonen-3-ol
 nonisyl formate
 oakmoss absolute
 oakmoss oil
beta-ocimene
 ocimene quintoxide
(E,E)-2,4-octadien-1-al
 octanal diethyl acetal
 octanal propylene glycol acetal
(E)-2-octen-1-yl acetate
 octen-1-yl cyclopentanone
 octyl acetate
3-octyl acetate
 octyl isobutyrate
 orange leaf absolute
 orris hexanone
 orris root concrete
 peanut oxazole
2-pentyl furan
2-phenyl propyl acetate
2-phenyl propyl alcohol
 phenyl propyl phenyl acetate
1-phenyl-2-pentanol
 pinacol
alpha-pinene
isopulegol
 rose absolute
 spruce needle absolute
beta-terpineol
 terpinyl propionate
alpha-thujene
 thyme absolute
 tricyclo(5.2.1.02,6)dec-3-enyl acetate
 turmeric oleoresin
 undecanal
 valerian absolute
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china
 vetiver oil
(odor and/or flavor) used in :
 earth humus
 geranium
 green
 herbal
 lavender
 mint
 spice
 woody
natural occurrence in :
geranium
data pagekachur oil @ 0.10%
lavender
mint
data pagerue oil china @ 0.02%



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 © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/05/2009