prenol
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IUPAC name :3-methylbut-2-en-1-ol
InChI :InChI=1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
InChIKey :ASUAYTHWZCLXAN-UHFFFAOYAN
SMILES :CC(=CCO)C
cas number :556-82-1
(EINECS) number :209-141-4
beilstein number :1633479
fema number :3647
coe number :11795
jecfa number :1200
fl. number :02.109
molar refractivity :26.64 ± 0.3 cm3
parachor :231.2 ± 4.0 cm3
index of refraction :1.435 ± 0.02
surface tension :26.4 ± 3.0 dyne/cm
density :0.844 ± 0.06 g/cm3
polarizability :10.56 ± 0.5 10-24cm3
XlogP : 0.70
molecular weight : 86.1323000 (IUPAC)
formula :C5 H10 O
BioActivity Analysis :435948
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2905.29.9000
fda reg :unspecified
Suppliers :
Bedoukian Research :PRENOL (3-METHYL-2-BUTEN-1-OL)
≥96.0%, Kosher
Odor:  fruity, green, lavender
Used in lavender and hops compositions.
Flavor:  green fruity
Works particularly well in passion fruit and cranberry flavors.
Berje :Prenol
Citrus and Allied Essences :Prenol
Grau Aromatics :VERTENOL (PRENOL)
NI, Kosher
Moellhausen :prenol
98% min. nature identical kosher
Odor:  fresh, ethereal, yeast and fermented
Penta :3-methyl-2-buten-1-ol
SAFC Global® :3-methyl-2-buten-1-ol
≥98%, Kosher
Odor:  fruity; green
organoleptics :
odor type :fruity
odor strength :medium
odor description:
at 100.00 %.  		fruity green lavender
odor description:
Sweet, fruity, alcoholic with a green nuance
Mosciano, Gerard P&F 16, No. 4, 45, (1991)
taste description:
at 30.00 ppm.  		Green, fruity
Mosciano, Gerard P&F 16, No. 4, 45, (1991)
properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.84400 to 0.85200 @ 25.00 °C.
pounds per gallon - calc. : 7.023 to 7.089
refractive index :1.43800 to 1.44800 @ 20.00 °C.
boiling point : 138.00 to 174.00 °C. @ 760.00 mm Hg
vapor pressure :1.40000 mm/Hg @ 20.00 °C.
flash point : 110.00  °F.  TCC  ( 43.33 °C. )
logP (o/w) : 1.17
safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Rat    810.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 895, 1979.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  3900.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 895, 1979.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :4.60 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :3.80 (μg/capita/day)
Structure Class :I
 
recommendation for prenol fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
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
Cancer Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1987
 
WGK Germany :1
 
 
 
 
3-methylbut-2-en-1-ol
(EINECS) number :209-141-4
RTECS :EM9472500 for cas# 556-82-1
chemidplus :000556821
EPA Substance Registry Services :556-82-1
dtp/nci :158709
references :
 
3-methylbut-2-en-1-ol
fl. number :02.109
jecfa number :1200
NIST Chemistry WebBook :3907847182
pubchem :154475
Flavornet :556-82-1
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 dimethyl allyl alcohol
3-methyl but-2-en-1-ol
3-methyl crotyl alcohol
3-methyl-2-buten-1-ol
3-methyl-2-butenol
3-methyl-2-butenyl alcohol
3-methylbut-2-en-1-ol
 prenyl alcohol
 vertenol
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde dihexyl acetalFL/FR
 acetaldehyde diisoamyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
 allyl tiglateFL
isoamyl benzoateFL/FR
isoamyl butyrateFL/FR
alpha-amyl cinnamaldehyde diethyl acetalFR
 amyl formateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 berry pentadienoateFL/FR
 boronia absoluteFL/FR
 buchu mercaptanFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 citronellyl propionateFL/FR
 cognac heptanoneFL/FR
para-cresyl isobutyrateFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
gamma-damasconeFR
alpha-decalactoneFR
3-decen-2-oneFL/FR
9-decenoic acidFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
(E,E)-2,4-dodecadien-1-olFR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-4-decenoateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl-4-butanolFL/FR
 furfuryl propionateFL
(E)-geranyl acetoneFL/FR
 geranyl isovalerateFL/FR
 green dioxolaneFR
(E,E)-2,4-heptadien-1-olFL
 heptanal cyclic ethylene acetalFR
2-heptanolFL/FR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
 hexanolFL/FR
2-hexen-1-alFL
(E)-2-hexen-1-al diethyl acetalFL
2-hexen-1-al diethyl acetalFL
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-2-hexen-1-yl acetateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
1-hexen-3-yl acetate 
 hexyl (E)-2-hexenoateFL
 hexyl 2-butenoateFL/FR
 hexyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 hexyl pivalateFR
 hexyl propionateFL/FR
 lily propanolFR
 linalyl hexanoateFL/FR
 melon valerateFL/FR
 methyl (E)-2-hexenoateFL
 methyl (E)-3-nonenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
 methyl heptanoateFL/FR
 methyl R-3-acetoxyhexanoate 
2-methyl valeraldehydeFL
 methyl valerateFL/FR
3-methyl valeric acidFL
(E)-2-methyl-2-octen-1-alFL
2-methyl-2-octen-1-alFL
3-methyl-3-pentanolFL
 nerolidyl isobutyrateFR
(E,E)-3,5-octadien-2-oneFL
 octen-1-yl cyclopentanoneFL/FR
 octyl 2-methyl butyrateFL/FR
 papaya isobutyrateFL/FR
(E)-2-penten-1-alFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 rhubarb undecaneFR
 sorbyl isobutyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 thiogeraniolFL/FR
 tiglaldehydeFL/FR
 timber dioxolaneFR
 tropical indeneFR
 tropical thiazoleFL/FR
 violet dienyneFR
 woody acetateFR
potential uses :
 apple
 banana
 blackberry
 bramble arctic bramble
 bread white bread
 cloudberry bakeapple
 coffee
 cranberry
 currant
 grape
 green
 hops houblon
 huckleberry bilberry
 lavender
 mango
 passion fruit
 raspberry
 rum
 tomato
natural occurrence in :    note
 blackberry  
 coffee  
data pageheracleum paphlagonicum czeczott fruit oil turkey @ <0.10% S
 hop oil S
 mango S
 raspberry plant  
 ylang ylang oil S
data pageylang ylang oil @ 0.06% S

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