EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

3,6-dimethyl-3-octanol
3-octanol, 3,6-dimethyl-

Sponsors

Name:3,6-dimethyloctan-3-ol
CAS Number: 151-19-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:205-787-6
FDA UNII:MFCD00021829
Nikkaji Web:J100.870F
XlogP3-AA:3.30 (est)
Molecular Weight:158.28454000
Formula:C10 H22 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Mixture of diastereo isomers (EFFA, 2010). Stereoisomeric composition to be specified.
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
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FLAVIS Number:02.147 (Old)
DG SANTE Food Flavourings:02.147 3,6-dimethyloctan-3-ol
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83100 to 0.83700 @ 25.00 °C.
Pounds per Gallon - (est).: 6.915 to 6.965
Refractive Index:1.43400 to 1.44000 @ 20.00 °C.
Boiling Point: 202.20 °C. @ 760.00 mm Hg
Boiling Point: 132.00 °C. @ 100.00 mm Hg
Vapor Pressure:0.072000 mm/Hg @ 25.00 °C. (est)
Flash Point: 180.00 °F. TCC ( 82.22 °C. )
logP (o/w): 3.485 (est)
Soluble in:
 alcohol
 diethyl phthalate
 mineral oil
 water, slightly
 water, 188.9 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 acidic
 basic
 oxidizing
 
Organoleptic Properties:
Odor Type: floral
Odor Strength:medium
Substantivity:12 hour(s) at 100.00 %
fresh bois de rose woody blueberry sweet rose
Odor Description:at 100.00 %. fresh linalool woody blueberry sweet rose
Luebke, William tgsc, (1987)
Odor sample from: Fritzsche Dodge & Olcott, Inc.
Flavor Type: herbal
herbal bois de rose blueberry berry coriander floral
Taste Description: sweet herbal bois de rose blueberry berry coriander floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
3,6-Dimethyl-3-octanol
Penta International
3,6-DIMETHYL OCTANOL-3-RECTIFIED
Sigma-Aldrich: Aldrich
For experimental / research use only.
3,6-Dimethyl-3-octanol
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 - Wear suitable protective clothing.
 
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 > 5000 mg/kg
(Moreno, 1973n)

oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 797, 1975.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 797, 1975.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3,6-dimethyl-3-octanol usage levels up to:
  20.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
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
 
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):151-19-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :9027
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,6-dimethyloctan-3-ol
Chemidplus:0000151199
 
References:
 3,6-dimethyloctan-3-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:151-19-9
Pubchem (cid):9027
Pubchem (sid):134973419
 
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
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-beta-
methyl ionone
FL/FR
aldehydic
aldehydic
nonanal diethyl acetal
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
myrcenyl acetate
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
octyl phenyl acetate
FL/FR
floral
iso
amyl undecylenate
FL/FR
benzyl alcohol
FL/FR
bois de rose oil brazil
FL/FR
bois de rose oil peru
FL/FR
bois de rose oil terpeneless
FL/FR
butyl benzyl ether
FL/FR
4-tert-
butyl cyclohexane carboxaldehyde
FR
citronellal
FL/FR
citronellyl butyrate
FL/FR
citronellyl propionate
FL/FR
clary propionate
FR
coranol (Firmenich)
FR
coriander seed oil
FL/FR
coriander seed oil terpeneless
FL/FR
(Z)-alpha-
damascone
FL/FR
gamma-
damascone
FR
(Z)-4-
decen-1-yl acetate
FL/FR
dihydrocarvyl acetate
FL/FR
dihydrolinalool
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
ethyl linalool
FR
ethyl linalyl acetal
FR
ethyl linalyl acetate
FR
ethyl linalyl ether
FL/FR
farnesyl acetate
FL/FR
floral pyran
FR
floral pyranol
FR
geranyl acetate
FL/FR
(E)-
geranyl linalool
FL/FR
hawthorn ethanol
FR
ho leaf oil
FR
ho wood oil
FR
(E)-beta-
ionone
FL/FR
alpha-
ionone
FL/FR
beta-
ionone
FL/FR
alpha-
irone
FL/FR
linaloe wood oil mexico
FL/FR
dextro-
linalool
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
linalool oxide
FL/FR
linalool oxide (furanoid)
FL/FR
linalyl anthranilate
FL/FR
beta-iso
methyl ionone
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
2-
methyl octanal
FL/FR
muguet carbinol
FL/FR
musk acetate
FR
neryl acetate
FL/FR
neryl isovalerate
FL/FR
nonanol
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
petitgrain cedrat oil
FL/FR
petitgrain oil terpenes
FR
phenethyl acetate
FL/FR
phenethyl anthranilate
FL/FR
phenethyl phenyl acetate
FL/FR
phenethyl salicylate
FL/FR
phenyl acetaldehyde digeranyl acetal
FR
laevo-
rose oxide
FL/FR
styralyl formate
FL/FR
styralyl propionate
FL/FR
tetrahydrolinalool
FL/FR
2-
undecen-1-ol
FL/FR
(E)-2-
undecen-1-ol
FL/FR
vetiver pentanone
FR
fruity
iso
butyl furyl propionate
FL/FR
(E)-alpha-
damascone
FL/FR
strawberry glycidate 2
FL/FR
tropical ionone
FL/FR
green
iso
decanal
FL/FR
perilla alcohol
FL/FR
phenyl acetaldehyde
FL/FR
herbal
freesia heptanol
FL/FR
powdery
(E)-alpha-
methyl ionone (50-60%)
FL/FR
spicy
cubeb oil
FL/FR
woody
bois de rose leaf oil brazil
FL/FR
sandal octanol
FR
For Flavor
No flavor group found for these
iso
amyl undecylenate
FL/FR
butyl benzyl ether
FL/FR
(Z)-alpha-
damascone
FL/FR
iso
decanal
FL/FR
(Z)-4-
decen-1-yl acetate
FL/FR
2',4'-
dimethyl acetophenone
FL/FR
ethyl linalyl ether
FL/FR
(E)-
geranyl linalool
FL/FR
linaloe wood oil mexico
FL/FR
dextro-
linalool
FL/FR
linalool oxide (furanoid)
FL/FR
(Z)-
linalool oxide (furanoid)
FL/FR
(E)-beta-
methyl ionone
FL/FR
beta-iso
methyl ionone
FL/FR
(E)-alpha-
methyl ionone (50-60%)
FL/FR
2-
methyl octanal
FL/FR
nonanal diethyl acetal
FL/FR
octyl phenyl acetate
FL/FR
styralyl formate
FL/FR
(E)-2-
undecen-1-ol
FL/FR
2-
undecen-1-ol
FL/FR
iso
butyl furyl propionate
FL/FR
citrus
citrus
bergamot oil bergaptene reduced italy
FL/FR
freesia heptanol
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
myrcenyl acetate
FL/FR
petitgrain cedrat oil
FL/FR
styralyl propionate
FL/FR
floral
bois de rose leaf oil brazil
FL/FR
bois de rose oil brazil
FL/FR
bois de rose oil peru
FL/FR
bois de rose oil terpeneless
FL/FR
citronellal
FL/FR
citronellyl propionate
FL/FR
dihydrocarvyl acetate
FL/FR
dihydrolinalool
FL/FR
farnesyl acetate
FL/FR
alpha-
ionone
FL/FR
linalyl anthranilate
FL/FR
alpha-iso
methyl ionone (50% min.)
FL/FR
muguet carbinol
FL/FR
neryl acetate
FL/FR
phenethyl anthranilate
FL/FR
laevo-
rose oxide
FL/FR
tetrahydrolinalool
FL/FR
tropical ionone
FL/FR
fruity
benzyl alcohol
FL/FR
citronellyl butyrate
FL/FR
(E)-alpha-
damascone
FL/FR
neryl isovalerate
FL/FR
strawberry glycidate 2
FL/FR
green
geranyl acetate
FL/FR
linalool oxide
FL/FR
herbal
coriander seed oil
FL/FR
coriander seed oil terpeneless
FL/FR
honey
phenethyl acetate
FL/FR
phenethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
medicinal,
phenethyl salicylate
FL/FR
spicy
cubeb oil
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
waxy
nonanol
FL/FR
woody
beta-
ionone
FL/FR
(E)-beta-
ionone
FL/FR
alpha-
irone
FL/FR
perilla alcohol
FL/FR
 
Potential Uses:
FRbois de rose
FRfloral
FLpotato
FRrose
 
Occurrence (nature, food, other):note
 potato baked potato
Search Trop Picture
 
Synonyms:
 aprol 100
3,6-dimethyl octan-3-ol
3,6-dimethyloctan-3-ol
 octan-3-ol, 3,6-dimethyl-
3-octanol, 3,6-dimethyl-
 
 
Notes:
None found
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