(-)-lavandulol
4-hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (2R)-
 
Notes:
Constit. of French lavender oil
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(2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol (Click)
CAS Number: 498-16-8Picture of molecule
FDA UNII: T2QB7QHN63
Nikkaji Web: J15.209I
Beilstein Number: 1722732
XlogP3-AA: 3.00 (est)
Molecular Weight: 154.25266000
Formula: C10 H18 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Register name to be changed to (R)-(-)-Lavandulol (EFFA, 2007b).
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
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Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
Flavis Number: 02.170 (Old)
DG SANTE Food Flavourings: 02.170  (R)-(-)-lavandulol
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.87700 to 0.88300 @  25.00 °C.
Pounds per Gallon - (est).: 7.298 to  7.347
Refractive Index: 1.46700 to 1.47300 @  20.00 °C.
Boiling Point: 229.00 to  230.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.013000 mm/Hg @ 25.00 °C. (est)
Flash Point: 191.00 °F. TCC ( 88.33 °C. )
logP (o/w): 2.665 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 253.2 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol. 
herbal
  
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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 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-mouse LD50  > 5000 mg/kg
4/10 mice died after a dose of 5000 mg/kg.
(Moreno et al., 1982)

oral-mouse LDLo  5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 55S, 1992.

Dermal Toxicity:
skin-guinea pig LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 55S, 1992.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (-)-lavandulol usage levels up to:
  2.0000 % in the fragrance concentrate.
 
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 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf
Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4
View page or View pdf
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5464156
National Institute of Allergy and Infectious Diseases: Data
 (2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
Chemidplus: 0000498168
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References:
Leffingwell: chirality
 (2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 498-16-8
Pubchem (cid): 5464156
Pubchem (sid): 135024331
Flavornet: 498-16-8
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
CHEBI: View
HMDB (The Human Metabolome Database): HMDB36041
FooDB: FDB014861
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
 
None Found
 
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Potential Uses:
 herbalFR
 lavenderFR
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Occurrence (nature, food, other): note
 lavender oil
Search Trop  Picture
 peppermint leaf
Search Trop  Picture
 rosemary plant
Search Trop  Picture
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Synonyms:
4-hexen-1-ol, 2-isopropenyl-5-methyl-, (-)- (8CI)
4-hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (2R)-
4-hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-
(R)-lavandulol
(R)-(-)-lavandulol
(R)-5-methyl-2-(1-methyl ethenyl)-4-hexen-1-ol
(theta)-5-methyl-2-(1-methyl ethenyl)-4-hexen-1-ol
(R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-ol
(2R)-5-methyl-2-(1-methylethenyl)hex-4-en-1-ol
(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol
(2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol
(-)-2-isopropenyl-5-methyl-4-hexen-1-ol
2-isopropyl pentyl-5-methyl-4-hexen-1-ol
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