2-octen-1-ol
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :oct-2-en-1-ol
InChI :InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h6-7,9H,2-5,8H2,1H3
InChIKey :AYQPVPFZWIQERS-UHFFFAOYAP
SMILES :CCCCCC=CCO
cas number :22104-78-5
fema number :3887
coe number :11804
fl. number :02.192
molar refractivity :40.70 ± 0.3 cm3
parachor :354.3 ± 4.0 cm3
index of refraction :1.449 ± 0.02
surface tension :29.7 ± 3.0 dyne/cm
density :0.845 ± 0.06 g/cm3
polarizability :16.13 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 128.2120400
formula :C8 H16 O
NMR Predictor :Predict
 
 
export tariff code :2905.29.9000
fda reg :unspecified

Suppliers :
Bedoukian Research :trans-2-OCTEN-1-OL
≥96.0% (trans), Kosher
Odor:  green, vegetable-like

organoleptics :
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
green vegetable

properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
boiling point : 195.00 to 196.00 °C. @ 760.00 mm Hg
flash point : 172.00  °F.  TCC  ( 77.78 °C. )
logP (o/w) : 2.82

safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 2-octen-1-ol usage levels up to :
  0.5000 % in the fragrance concentrate.

safety references :
EPI System :view
 
WGK Germany :3
 
 
 
 oct-2-en-1-ol
chemidplus :022104785
EPA Substance Registry Services :22104-78-5

references :
 oct-2-en-1-ol
fl. number :02.192
NIST Chemistry WebBook :22104785
pubchem :667478

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 oct-2-en-1-ol
2-octenol-1

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 citral diethyl acetal
 citronellyl butyrate
(E,E,Z)-2,4,7-decatrien-1-al
2,4,7-decatrien-1-al
 green hexanal
(Z)-3-hexen-1-yl oxyacetaldehyde
 linalyl acetate
dextro-linalyl acetate
laevo-linalyl acetate
 melon heptenal propylene glycol acetal
 nerolidol
(E)-nerolidol
 octanal diethyl acetal
(E)-2-octen-1-ol
 tangerine acetate

(odor and/or flavor) used in :
 berry
 citrus
 vegetable

natural occurrence in :
data pagementha longifolia (l.) huds. oil jordan @ trace%



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