1-penten-3-ol
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IUPAC name :pent-1-en-3-ol
InChI :InChI=1/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3
InChIKey :VHVMXWZXFBOANQ-UHFFFAOYAK
SMILES :CCC(C=C)O
cas number :616-25-1
(EINECS) number :210-472-1
beilstein number :1719833
fema number :3584
coe number :11717
jecfa number :1150
fl. number :02.099
molar refractivity :26.43 ± 0.3 cm3
parachor :234.1 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.827 ± 0.06 g/cm3
polarizability :10.47 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 86.1323000
formula :C5 H10 O
NMR Predictor :Predict
 
 
IUPAC name :(3R)-pent-1-en-3-ol
InChI :InChI=1/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3/t5-/m0/s1
InChIKey :VHVMXWZXFBOANQ-YFKPBYRVBQ
SMILES :CC[C@H](C=C)O
cas number :616-25-1  (R)
molar refractivity :26.43 ± 0.3 cm3
parachor :234.1 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.827 ± 0.06 g/cm3
polarizability :10.47 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 86.1323000
formula :C5 H10 O
NMR Predictor :Predict
 
 
IUPAC name :(3S)-pent-1-en-3-ol
InChI :InChI=1/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3/t5-/m1/s1
InChIKey :VHVMXWZXFBOANQ-RXMQYKEDBI
SMILES :CC[C@@H](C=C)O
cas number :616-25-1  (S)
molar refractivity :26.43 ± 0.3 cm3
parachor :234.1 ± 4.0 cm3
index of refraction :1.421 ± 0.02
surface tension :25.6 ± 3.0 dyne/cm
density :0.827 ± 0.06 g/cm3
polarizability :10.47 ± 0.5 10-24cm3
XlogP : 1.00
molecular weight : 86.1323000
formula :C5 H10 O
NMR Predictor :Predict
 
 
export tariff code :2905.29.9000
fda reg :172.515
Suppliers :
Advanced Biotech :1-penten-3-ol
94% min. natural
Bedoukian Research :1-PENTEN-3-OL (ETHYL VINYL CARBINOL)
≥99.0%, Kosher
Citrus and Allied Essences :1-penten-3-ol
Fontarome :1-PENTEN 3 OL
Odor:  Green, grassy, very powerful, diffusive, somewhat leafy
Frutarom :1-PENTEN-3-OL
≥98.00%, NI, Kosher
Inoue :1-PENTEN-3-OL
Penta :1-penten-3-ol
Sigma-Aldrich-SAFC :1-Penten-3-ol
≥98%, Kosher, FG
organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  		pungent horseradish green vegetable tropical fruity
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83000 to 0.84500 @ 25.00 °C.
pounds per gallon - calc. : 6.906 to 7.031
refractive index :1.41800 to 1.42800 @ 20.00 °C.
boiling point : 114.00 to 115.00 °C. @ 760.00 mm Hg
boiling point : 32.00 °C. @ 15.00 mm Hg
vapor pressure :9.68000 mm/Hg @ 25.00 °C.
vapor density :2.9 ( Air = 1 )
flash point : 77.00  °F.  TCC  ( 25.00 °C. )
logP (o/w) : 1.12
safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for 1-penten-3-ol usage levels up to :
 not for fragrance use.
recommendation for 1-penten-3-ol usage levels up to :
  15.0000 ppm in the flavor.
safety references :
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1987
 
WGK Germany :3
 
 
 
 pent-1-en-3-ol
(EINECS) number :210-472-1
chemidplus :000616251
EPA Substance Registry Services :616-25-1
dtp/nci :65446
 (3R)-pent-1-en-3-ol
 (3S)-pent-1-en-3-ol
references :
 pent-1-en-3-ol
fl. number :02.099
jecfa number :1150
NIST Chemistry WebBook :2337479775
pubchem :155333
 (3R)-pent-1-en-3-ol
pubchem :43596589
 (3S)-pent-1-en-3-ol
pubchem :43601400
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
1-ethyl allyl alcohol
alpha-ethyl allyl alcohol
 ethyl vinyl carbinol
 pent-1-en-3-ol
 vinyl ethyl carbinol
soluble in :
 alcohol
 water, 90100 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 allyl sulfide
 benzyl mercaptan
 cyclopentyl mercaptan
 ethyl 3-octenoate
2-ethyl-4,5-dimethyl oxazole
 furfuryl acetate
 furfuryl methyl sulfide
 grapefruit menthane
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
(E)-4-hexen-1-al
4-hexen-1-ol
(Z)-3-hexen-1-yl (E)-crotonate
3-mercapto-2-pentanone
2-methyl 5-(methyl thio) furan
2-methyl thiazole
4-(methyl thio) butanol
3-(methyl thio) hexanol
3-(5-methyl-2-furyl) butanal
(Z)-6-nonen-1-ol
2-octen-1-ol
4-pentenyl isothiocyanate
2-phenethyl isothiocyanate
2-propyl pyrazine
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
 radish isothiocyanate
3-tetrahydrothiophenone
 tropical 3-thiobutyrate
 tropical indene
 tropical ionone
 tropical thiazole
(odor and/or flavor) used in :
 banana
 cucumber
 green
 horseradish
 milk
 orange
 strawberry
 tomato
 vegetable
natural occurrence in :
banana
beef
chicken
endive
melon
milk
raspberry plant
strawberry
tea green tea
tomato



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