3-octen-2-ol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :oct-3-en-2-ol
InChI :InChI=1/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3
InChIKey :YJJIVDCKSZMHGZ-UHFFFAOYAM
SMILES :CCCCC=CC(C)O
(EINECS) number :278-508-9
cas number :76649-14-4
fema number :3602
jecfa number :1140
fl. number :02.102
molar refractivity :40.66 ± 0.3 cm3
parachor :351.7 ± 4.0 cm3
index of refraction :1.447 ± 0.02
surface tension :28.6 ± 3.0 dyne/cm
density :0.843 ± 0.06 g/cm3
polarizability :16.12 ± 0.5 10-24cm3
xlogp : 2.80
molecular weight : 128.2120400
formula :C8 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :mushroom
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
creamy mushroom melon rind waxy

properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82600 to 0.83600 @ 25.00 °C.
pounds per gallon - calc. : 6.873 to 6.956
refractive index :1.43400 to 1.44400 @ 20.00 °C.
boiling point : 98.00 °C. @ 2.00 mm Hg
logp : 2.63

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 160.00  °F.  TCC  ( 71.11 °C. )
recommendation for 3-octen-2-ol usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for 3-octen-2-ol usage levels up to :
  20.0000 ppm in the flavor.

safety references :
EPI System :view
 
 
 oct-3-en-2-ol
(EINECS) number :278-508-9
chemidplus :76649-14-4
EPA Substance Registry Services :76649-14-4
NLM Chemical Carcinogenesis Research Information System :76649-14-4
NLM Developmental and Reproductive Toxicity :76649-14-4
NLM Env. Mutagen Info. Center :76649-14-4
NLM GENetic TOXicology :76649-14-4

references :
 oct-3-en-2-ol
jecfa number :1140
fl. number :02.102
pubchem :34708063

other :
synonyms :
 oct-3-en-2-ol
3-octen-2-ol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 amyl formate
(E)-benzyl tiglate
 bornyl formate
 butyl lactate
 butyl laevo-lactate
(E)-2-decen-1-al
1-decen-3-ol
 dibenzyl ether
 dimethyl sulfoxide
6,8-dimethyl-2-nonanol
delta-heptalactone
 herbal pyran
(Z)-3-hexen-1-yl tiglate
 leaf acetal
 melon acetal
 melon carboxaldehyde
 melon valerate
 methyl 2-furoate
 methyl laurate
tris(methyl thio) methane
1-(methyl thio)-2-butanone
 methyl thiol isovalerate
2-naphthyl mercaptan
2,4-nonadien-1-ol
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
(Z)-2-nonen-1-ol
(Z)-3-nonen-1-ol
1-nonen-3-ol
 nonyl octanoate
1,8-octane dithiol
3-octanol
3-octanone
(3R)-1-octen-3-ol
1-octen-3-one
1-octen-3-yl butyrate
2-octen-4-one
 octyl 2-furoate
 octyl acetate
 octyl isobutyrate
 octyl propionate
(E)-2-penten-1-ol
2-pentyl furan
2-pentyl-1-buten-3-one
 phenethyl butyl ether
 phenethyl furoate
 phenyl acetaldehyde dimethyl acetal
2-phenyl propionaldehyde dimethyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
2-phenyl propyl acetate
1-phenyl-2-pentanol
 propyl 2,4-decadienoate
 watermelon ketone

(odor and/or flavor) used in :
 cream
 earth humus
 melon watermelon muskmelon cantaloupe
 mushroom
 raspberry
 soybean
 tomato

natural occurrence in :
not found in nature



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Html Last modified 11/29/2008