1-hepten-3-ol
Suppliers  organoleptics  properties  safety  references    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :hept-1-en-3-ol
InChI :InChI=1/C7H14O/c1-3-5-6-7(8)4-2/h4,7-8H,2-3,5-6H2,1H3
InChIKey :PZKFYTOLVRCMOA-UHFFFAOYAW
SMILES :CCCCC(C=C)O
cas number :4938-52-7
(EINECS) number :225-579-9
beilstein number :1720340
fema number :4129
coe number :10218
jecfa number :1842
fl. number :02.155
molar refractivity :35.69 ± 0.3 cm3
parachor :313.7 ± 4.0 cm3
index of refraction :1.434 ± 0.02
surface tension :27.4 ± 3.0 dyne/cm
density :0.833 ± 0.06 g/cm3
polarizability :14.15 ± 0.5 10-24cm3
XlogP : 2.10
molecular weight : 114.1854600
formula :C7 H14 O
BioActivity Analysis :399388
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Frutarom :1-HEPTEN-3-OL
≥98.00%, NI, Kosher
Odor:  Earthy, Fruity, Green, Mushroom
Sigma-Aldrich-SAFC :1-Hepten-3-ol
≥97%

organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :¹
at 1.00 % in dipropylene glycol.  
oily green metallic acrylate tomato spicy
odor sample from :Sigma-Aldrich Inc.
taste description² :at 1.00 ppm in water.  
sweet green plastic metallic weedy
substantivity :< 1 hour(s) at 1.00 % in propylene glycol

properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83200 to 0.83800 @ 20.00 °C.
pounds per gallon - calc. : 6.931 to 6.981
refractive index :1.43000 to 1.43500 @ 20.00 °C.
boiling point : 153.00 to 155.00 °C. @ 760.00 mm Hg
vapor density :3.9 ( Air = 1 )
flash point : 129.00  °F.  TCC  ( 53.89 °C. )
logP (o/w) : 2.11

safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 36/37/39 - Wear suitable clothing, 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 1-hepten-3-ol usage levels up to :
  0.1000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 22
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : --
beverages(alcoholic) : --
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : 0.050000.10000
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : 0.100000.20000
hard candy : --
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : 0.100000.20000
milk products : --
nut products : --
other grains : --
poultry : 0.050000.10000
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : 0.500000.80000
snack foods : 0.050000.10000
soft candy : --
soups : 0.050000.10000
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1987
 
WGK Germany :3
 
 
 
 hept-1-en-3-ol
(EINECS) number :225-579-9
chemidplus :004938527
EPA Substance Registry Services :4938-52-7
dtp/nci :93797

references :
 hept-1-en-3-ol
fl. number :02.155
jecfa number :1842
NIST Chemistry WebBook :1354262235
pubchem :163833

other :
reference : Luebke, William tgsc, (2006)¹
reference : Luebke, William tgsc, (2006)²
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 butyl vinyl carbinol
 hept-1-en-3-ol
(±)-1-hepten-3-ol

soluble in :
 alcohol
 propylene glycol

insoluble in :
 water

(odor and/or flavor) blends with :
 basil oil
 basil oil CO2 sweet
isobutyl angelate
2-isobutyl thiazole
 carrot leaf oil
 carrot seed oil
 carrot weed oil
 cassis pentanone
 cinnamaldehyde dimethyl acetal
 cumin seed absolute
 currant bud absolute black
2,5-dihydroxy-1,4-dithiane
 dill weed oil
 dimethyl sulfide
 epoxy-2-decenal
 ethyl 3-hexenoate
 ethyl methacrylate
 ethyl methyl mercaptopropionate
 ethyl methyl sulfide
 fennel seed oil
 fresh carbaldehyde
 geranium oil
 geranium thiazole
 green ether
(E,E)-2,4-hexadien-1-al
3-hexen-1-al
(E)-4-hexen-1-ol
(Z)-4-hexen-1-ol
(Z)-3-hexen-1-yl octanoate
(Z)-3-hexen-1-yl salicylate
 hop absolute
 hop oil
 hyacinth ether
 lychee mercaptan acetate
 methional
 methyl 3-(methyl thio) propionate
 methyl benzyl disulfide
S-methyl methioninium chloride
 methyl propyl disulfide
 methyl propyl trisulfide
bis(methyl thio) methane
 methyl thiol isovalerate
(E)-2-penten-1-al
4-penten-1-yl acetate
2-phenyl propyl alcohol
 phenyl propyl phenyl acetate
 potato butanone
4-isopropyl quinoline
isopropyl quinoline
 thyme absolute

(odor and/or flavor) used in :
 banana
 beer
 coffee
 fruit
 mushroom

natural occurrence in :
banana
beer
data pagepatchouli oil china @ 0.01%
pepper green pepper
pepper red pepper



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/05/2009