1,5-octadien-3-ol
octa-1,5-dien-3-ol
 
Notes:
Flavouring compound [Flavornet]
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CAS Number: 83861-74-9Picture of molecule3D/inchi
FDA UNII: KI2TJG39HP
XlogP3-AA: 2.00 (est)
Molecular Weight: 126.19878000
Formula: C8 H14 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Mixture of E/Z stereoisomers: 60-90 % (E) (EFFA, 2012c). Stereoisomeric composition of optical isomers not specified.
Category: flavoring agents
 
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JECFA Food Flavoring: 2218  1,5-octadien-3-ol
DG SANTE Food Flavourings: 02.194  octa-1,5-dien-3-ol
FEMA Number: 4732 1,5-octadien-3-ol
FDA:No longer provide for the use of these seven synthetic flavoring substances
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.83200 to 0.83800 @  25.00 °C.
Pounds per Gallon - (est).: 6.923 to  6.973
Refractive Index: 1.44100 to 1.44700 @  20.00 °C.
Boiling Point: 185.00 to  186.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 187.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.194000 mmHg @ 25.00 °C. (est)
Flash Point: 162.00 °F. TCC ( 72.10 °C. ) (est)
logP (o/w): 2.198 (est)
Soluble in:
 alcohol
 water, 2853 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: earthy
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 earthy  mushroom  geranium  leafy  green  marine  
Odor Description:
at 0.10 % in propylene glycol. 
earthy mushroom geranium leaf green marine
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for 1,5-octadien-3-ol usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
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 Flavor Ingredient Library
publication number: 26
Click here to view publication 26
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.050000.20000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.100001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: 0.100000.50000
jams / jellies: --
meat products: --
milk products: 0.100001.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.010000.10000
snack foods: 0.010000.10000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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Safety References:
European Food Safety Athority(EFSA): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Scientific Opinion on Flavouring Group Evaluation 206 (FGE.206): Consideration of genotoxicity data on representatives for 12 alpha,beta-unsaturated ketones and precursors from chemical subgroup 1.2.3 of FGE.19 by EFSA
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 205986
National Institute of Allergy and Infectious Diseases: Data
 octa-1,5-dien-3-ol
Chemidplus: 0083861749
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References:
 octa-1,5-dien-3-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 205986
Pubchem (sid): 125666472
Flavornet: 83861-74-9
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): HMDB30966
FooDB: FDB029652
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
balsamic
(E)-benzyl tiglateFL/FR
 bornyl formateFL/FR
dextro-fenchoneFL/FR
earthy
 benzyl tiglateFL/FR
 dibenzyl etherFL/FR
2-ethyl hexyl acetateFL/FR
1-nonen-3-olFL/FR
3-octanolFL/FR
(Z)-4-octen-1-olFL/FR
1-octen-3-olFL/FR
floral
 allyl anthranilateFL/FR
(E)-citronellyl tiglateFL/FR
 dihydro-alpha-iononeFL/FR
 geranium oil moroccoFL/FR
 octyl acetateFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
2-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
2-nonanoneFL/FR
fungal
 hydroxymethyl hexyl ethyl ketoneFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 diphenyl oxideFL/FR
1-heptanolFL/FR
 heptyl cinnamateFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
3-hexenalFL/FR
 hexyl heptanoateFL/FR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
 styralyl acetateFL/FR
 violet leaf oil (viola odorata)FL/FR
sweet basil absoluteFL/FR
 geranium concreteFL/FR
 lovage tinctureFL/FR
2-methyl-3-buten-2-olFL/FR
marine
green algae absoluteFL/FR
minty
isopulegyl formateFL/FR
sulfurous
3-(methyl thio) hexanolFL/FR
waxy
 methyl butyl phenyl acetateFL/FR
2-tridecanoneFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
green algae absoluteFL/FR
 allyl anthranilateFL/FR
 benzyl tiglateFL/FR
 bornyl formateFL/FR
2,3-dimethyl-5-isobutyl pyrazineFL
2-ethyl hexyl acetateFL/FR
 furfural diethyl acetalFL
 heptyl cinnamateFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
 hexyl heptanoateFL/FR
 hydroxymethyl hexyl ethyl ketoneFL/FR
tris(methyl thio) methaneFL
2-methyl-3-buten-2-olFL/FR
2-methyl-3-heptanoneFL
3-methyl-3-pentanolFL
(Z)-4-octen-1-olFL/FR
isopulegyl formateFL/FR
balsamic
(E)-benzyl tiglateFL/FR
berry
 dihydro-alpha-iononeFL/FR
cheesy
2-nonanoneFL/FR
coffee
 difurfuryl etherFL
cooling
dextro-fenchoneFL/FR
creamy
 acetyl ethyl carbinolFL
earthy
1-nonen-3-olFL/FR
1,8-octane dithiolFL
2-thienyl disulfideFL
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
2-tridecanoneFL/FR
floral
 geranium oil moroccoFL/FR
fruity
 dibenzyl etherFL/FR
2-hexen-1-olFL/FR
2-phenyl propionaldehyde dimethyl acetalFL/FR
 styralyl acetateFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
(E)-citronellyl tiglateFL/FR
 diphenyl oxideFL/FR
(Z)-2-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
3-hexenalFL/FR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
sweet basil absoluteFL/FR
 geranium concreteFL/FR
 lovage tinctureFL/FR
 oregano oleoresinFL
leafy
 methyl butyl phenyl acetateFL/FR
metallic
3-(methyl thio) hexanolFL/FR
mushroom
1-octen-3-olFL/FR
musty
3-octanolFL/FR
phenolic
 propyl 2-furoateFL
solvent
1-heptanolFL/FR
waxy
 octyl 2-furoateFL
 octyl acetateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 cheese - 0.11-0.15 mg/kg, various types
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 cheese - up to 0.26 mg/kg.
Search  PMC Picture
 chicken
Search  PMC Picture
 coregonus clupeaformis
Search Trop  Picture
 fish - up to 0.05 mg/kg
Search  PMC Picture
 oysters - up to 0.26 mg/kg
Search  PMC Picture
 scallop
Search  PMC Picture
 tea
Search Trop  Picture
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Synonyms:
 octa-1,5-dien-3-ol
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