1-hexen-3-ol
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IUPAC name :hex-1-en-3-ol
InChI :InChI=1/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3
InChIKey :BVOSSZSHBZQJOI-UHFFFAOYAO
cas number :4798-44-1
(EINECS) number :225-355-0
fema number :3608
coe number :10220
jecfa number :1151
fl. number :02.104
molar refractivity :31.06 ± 0.3 cm3
parachor :273.9 ± 4.0 cm3
index of refraction :1.428 ± 0.02
surface tension :26.6 ± 3.0 dyne/cm
density :0.830 ± 0.06 g/cm3
polarizability :12.31 ± 0.5 10-24cm3
XlogP : 1.60
molecular weight : 100.1588800
formula :C6 H12 O
BioActivity Analysis :396926
 
 
export tariff code :2905.29.9000
fda reg :unspecified

Suppliers :
Bedoukian Research :1-HEXEN-3-OL
≥98.5%, Kosher
Odor:  ethereal rum-like
Penta :1-hexen-3-ol
Sigma-Aldrich-SAFC :1-Hexen-3-ol
≥98%, Kosher
Odor:  banana; ethereal; wine-like

organoleptics :
odor type :ethereal
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
ether rum

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82900 to 0.83500 @ 25.00 °C.
pounds per gallon - calc. : 6.898 to 6.948
refractive index :1.42400 to 1.43100 @ 20.00 °C.
boiling point : 69.00 °C. @ 30.00 mm Hg
boiling point : 134.00 to 135.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :2.79000 mm/Hg @ 25.00 °C.
flash point : 93.00  °F.  TCC  ( 33.89 °C. )
logP (o/w) : 1.61

safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
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 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    310.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for 1-hexen-3-ol usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for 1-hexen-3-ol usage levels up to :
  10.0000 ppm in the flavor.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1987
 
WGK Germany :3
 
 
 
 hex-1-en-3-ol
(EINECS) number :225-355-0
chemidplus :004798441
EPA Substance Registry Services :4798-44-1
dtp/nci :89701

references :
 hex-1-en-3-ol
fl. number :02.104
jecfa number :1151
NIST Chemistry WebBook :65098158
pubchem :163713

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 hex-1-en-3-ol
3-hydroxy-1-hexene
 propyl vinyl carbinol
1-vinyl butan-1-ol
1-vinyl butanol
 vinyl propyl carbinol

soluble in :
 alcohol
 water, 25200 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetal
 acetaldehyde
 acetaldehyde 1,3-octane diol acetal
 acetaldehyde diisoamyl acetal
 acetyl acetaldehyde dimethyl acetal
 allyl 2-ethyl butyrate
 allyl hexanoate
 allyl phenyl acetate
isoamyl acetoacetate
alpha-amyl cinnamaldehyde diethyl acetal
 amyl formate
 amyl heptanoate
isoamyl pyruvate
 benzyl methyl ether
 berry pentadienoate
isobutyl acetate
isobutyl alcohol
isobutyl butyrate
 butyl formate
isobutyl formate
 butyl methyl ketone
 cyclohexanone diethyl acetal
 cyclohexyl formate
 decyl propionate
 diethyl sulfide
2,5-dimethyl furan
 ethyl (E)-crotonate
 ethyl 2-methyl-2-pentenoate
 ethyl acetate
2-ethyl butyl acetate
2-ethyl butyraldehyde
 ethyl cyclopentenolone
 ethyl formate
 ethyl heptanoate
 ethyl hydrocinnamate
 ethyl nonanoate
 ethyl propionate
 ethyl pyruvate
 fruity carboxylate
 geranyl methyl tiglate
 heptyl acetate
 hexanol
3-hexanone
(E)-2-hexen-1-yl formate
(E)-2-hexen-1-yl phenyl acetate
4-hexen-3-one
1-hexen-3-yl acetate
 linalyl propionate
 methyl acetate
2-methyl allyl butyrate
 methyl ethyl ketone
2-methyl furan
 methyl propionate
S-(methyl thio) hexanoate
 methyl tiglate
2-methyl valeraldehyde
2-pentanone
3-pentanone
2-phenyl propyl butyrate
 prenyl formate
isopropenyl acetate
isopropyl acetate
 propyl formate
isopropyl formate
isopropyl propionate
 propyl valerate
 pyruvaldehyde
 tetrahydrofurfuryl acetate
(E)-tiglic aldehyde

(odor and/or flavor) used in :
 banana
 rum
 strawberry

natural occurrence in :
banana
strawberry



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