ocimenol
5,7-octadien-2-ol, 2,6-dimethyl-
 
Notes:
None found
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(5E)-2,6-dimethylocta-5,7-dien-2-ol (Click)
CAS Number: 5986-38-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 227-806-7
Nikkaji Web: J34.606C
XlogP3: 2.90 (est)
Molecular Weight: 154.25266000
Formula: C10 H18 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Mixture of (E)- and (Z)-isomers (EFFA, 2010). Not longer supported by industry (DG SANCO, 2012)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
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PubMed: Search
NCBI: Search
Flavis Number: 02.191 (Old)
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Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.87100 to 0.87700 @  25.00 °C.
Pounds per Gallon - (est).: 7.248 to  7.298
Specific Gravity: 0.87100 to 0.87900 @  20.00 °C.
Pounds per Gallon - est.: 7.256 to 7.323
Refractive Index: 1.48000 to 1.48600 @  20.00 °C.
Boiling Point: 228.00 to  229.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.012000 mm/Hg @ 25.00 °C. (est)
Flash Point: 193.00 °F. TCC ( 89.44 °C. )
logP (o/w): 2.811 (est)
Soluble in:
 alcohol
 water, 304.5 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: citrus
Odor Strength: medium
 fresh  citrus  lemon  lime  cologne  sweet  mace  
Odor Description:
at 100.00 %. 
fresh citrus lemon lime cologne sweet mace
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
BOC Sciences
For experimental / research use only.
Ocimenol
IFF
Ocimenol
Odor: Fresh citrus-cologne odor with sweet and destintive tones suggesting mace like qualities
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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:
oral-rat LD50  1700 mg/kg
(Wohl, 1974f)

oral-rat LD50  1700 mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 817, 1976.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
maximum skin levels for fine fragrances:
  0.0200 %  and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).
Recommendation for ocimenol usage levels up to:
  25.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics:
  0.0200 %
Dermal Systemic Exposure in Cosmetic Products:
 0.0005 mg/kg/day
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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
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):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6
View page or View pdf
Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 90 (FGE.90): Consideration of Aliphatic, acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances evaluated by JECFA (68th meeting)FGE.18Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 18, Revision 2 (FGE.18Rev2): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8.
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 18, Revision 3 (FGE.18Rev3): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8.
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 5986-38-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5368785
National Institute of Allergy and Infectious Diseases: Data
 (5E)-2,6-dimethylocta-5,7-dien-2-ol
Chemidplus: 0005986389
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References:
 (5E)-2,6-dimethylocta-5,7-dien-2-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5986-38-9
Pubchem (cid): 5368785
Pubchem (sid): 134986442
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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): Search
YMDB (Yeast Metabolome Database): YMDB01762
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
green pepper 
aldehydic
2-methyl undecanal dimethyl acetalFR
balsamic
 terpinyl cinnamateFL/FR
camphoreous
 fencholFL/FR
citrus
 acetaldehyde citronellyl methyl acetalFR
 agathis australis oil 
 aldehydic nitrileFR
beta-bisabololFL/FR
 cedrat peel oilFL/FR
 citralFL/FR
 citral / methyl anthranilate schiff's baseFR
 citral diethyl acetalFL/FR
 citral dimethyl acetalFL/FR
 citral ethylene glycol acetalFR
 citral propylene glycol acetalFL/FR
 citronella oil ceylonFL/FR
 citronellyl nitrileFR
 citrus ocimenolFR
 dihydromyrcenolFL/FR
 dihydromyrcenyl acetateFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL/FR
 dimyrcetol (IFF)FR
homogeranyl nitrileFR
2-heptanolFL/FR
 heptyl phenyl acetateFL/FR
 kauri-copal leaf oil 
 lemon hexadieneFL/FR
 lemon oil c.p. californiaFL/FR
 lemon oil c.p. furocoumarin reducedFL/FR
 lemon oil italyFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lemongrass oil moroccoFL/FR
 lime octadienalFR
 lime oil distilled mexicoFL/FR
 lime oil distilled peruFL/FR
 lime oil expressed floridaFL/FR
 lime oil expressed terpenelessFL/FR
 lime pyranFR
 litsea cubeba fruit oilFL/FR
 litsea cubeba oil terpenelessFL/FR
1-methyl cyclohexene 
 methyl heptenoneFL/FR
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
 neroli ketoneFR
 petitgrain combava oilFR
 tetrahydrocitralFL/FR
 tetrahydromyrcenolFR
 trimethyl cyclohexeneFR
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
floral
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
isoamyl geranateFR
 citronellyl ethyl etherFR
 lemon oil distilledFL/FR
 neryl ethyl etherFR
 phenyl amyl alcoholFL/FR
fruity
 amyl heptanoateFL/FR
 ocimen-1-yl acetateFR
green
isodecanalFL/FR
 phenyl acetaldehyde diethyl acetalFL/FR
herbal
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
alpha-dihydroterpineolFL/FR
 dihydroterpinyl acetateFL/FR
 elemi resinoidFL/FR
alpha-terpinyl acetateFL/FR
medicinal
meta-dimethyl hydroquinoneFL/FR
spicy
 mace absoluteFL/FR
 mace oilFL/FR
 mace oleoresinFL/FR
 nutmeg oilFL/FR
 nutmeg oil CO2 extractFL/FR
 nutmeg oil terpenelessFL/FR
 nutmeg oleoresinFL/FR
 tea tree oilFR
terpenic
 cassis bud oilFL/FR
gamma-terpineneFL/FR
woody
 dihydro-alpha-terpinyl acetateFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
alpha-terpineneFL/FR
 
For Flavor
 
No flavor group found for these
 agathis australis oil 
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
 cedrat peel oilFL/FR
 citral propylene glycol acetalFL/FR
isodecanalFL/FR
alpha-dihydroterpineolFL/FR
 dihydroterpinyl acetateFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL/FR
 heptyl phenyl acetateFL/FR
 kauri-copal leaf oil 
4-mercapto-4-methyl-2-pentanolFL
1-methyl cyclohexene 
(Z+E)-2-methyl-2-(4-methyl-3-pentenyl) cyclopropane carbaldehydeFL/FR
green pepper 
 phenyl acetaldehyde diethyl acetalFL/FR
 phenyl amyl alcoholFL/FR
 tetrahydrocitralFL/FR
 thioterpenesFL
camphoreous
 fencholFL/FR
chemical
meta-dimethyl hydroquinoneFL/FR
citrus
beta-bisabololFL/FR
 citralFL/FR
 citral diethyl acetalFL/FR
 citral dimethyl acetalFL/FR
 citronella oil ceylonFL/FR
 lemon hexadieneFL/FR
 lemon oil c.p. californiaFL/FR
 lemon oil c.p. furocoumarin reducedFL/FR
 lemon oil distilledFL/FR
 lemon oil italyFL/FR
 lemon oil terpenelessFL/FR
 lemongrass oilFL/FR
 lemongrass oil guatemalaFL/FR
 lemongrass oil moroccoFL/FR
 lime oil distilled mexicoFL/FR
 lime oil distilled peruFL/FR
 lime oil expressed floridaFL/FR
 lime oil expressed terpenelessFL/FR
 litsea cubeba fruit oilFL/FR
 verbena oil franceFL
 verbena oil spainFL/FR
 verbena oil terpenelessFL/FR
fruity
 amyl heptanoateFL/FR
 cassis bud oilFL/FR
2-heptanolFL/FR
 terpinyl cinnamateFL/FR
green
 canarium luzonicum gumFL/FR
 canarium luzonicum oilFL/FR
 dihydromyrcenolFL/FR
 elemi resinoidFL/FR
 methyl heptenoneFL/FR
lemon
 litsea cubeba oil terpenelessFL/FR
spicy
 mace absoluteFL/FR
 mace oilFL/FR
 mace oleoresinFL/FR
 nutmeg oilFL/FR
 nutmeg oil CO2 extractFL/FR
 nutmeg oil terpenelessFL/FR
 nutmeg oleoresinFL/FR
terpenic
alpha-terpineneFL/FR
gamma-terpineneFL/FR
woody
alpha-terpinyl acetateFL/FR
 
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Potential Uses:
 citrusFR
 lemonFR
 limeFR
 maceFR
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Occurrence (nature, food, other): note
 apricot fruit - 0.04 mg/kg
Search Trop  Picture
 grapefruit juice - 0.01 mg/kg
Search Trop  Picture
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Synonyms:
(5E)-2,6-dimethyl octa-5,7-dien-2-ol
2,6-dimethyl-5,7-octadien-2-ol
(5E)-2,6-dimethylocta-5,7-dien-2-ol
5,7-octadien-2-ol, 2,6-dimethyl-
1,1,5-trimethyl-4,6-heptadienol
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