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

2,6-dimethyl-4-heptanol
diisobutyl carbinol

Supplier Sponsors

Name:2,6-dimethylheptan-4-ol
CAS Number: 108-82-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-619-6
FDA UNII:X5ATE41R0F
Nikkaji Web:J58.121F
Beilstein Number:1733804
MDL:MFCD00008944
CoE Number:11719
XlogP3-AA:3.00 (est)
Molecular Weight:144.25760000
Formula:C9 H20 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
At least 90%; secondary component 8-9% 2-heptanol. (JECFA)
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
JECFA Food Flavoring:303 2,6-dimethyl-4-heptanol
FLAVIS Number:02.081 (Old)
DG SANTE Food Flavourings:02.081 2,6-dimethylheptan-4-ol
FEMA Number:3140 2,6-dimethyl-4-heptanol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):108-82-7 ; 2,6-DIMETHYL-4-HEPTANOL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 82.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.80900 to 0.81400 @ 20.00 °C.
Pounds per Gallon - (est).: 6.740 to 6.781
Refractive Index:1.42100 to 1.42500 @ 20.00 °C.
Boiling Point: 174.00 to 178.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.303000 mmHg @ 25.00 °C.
Vapor Density:4.97 ( Air = 1 )
Flash Point: 151.00 °F. TCC ( 66.11 °C. )
logP (o/w): 2.918 (est)
Shelf Life: 24.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 613.8 mg/L @ 25 °C (est)
 water, 445 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: ethereal
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
fresh ethereal fermented yeasty
Odor Description:at 10.00 % in dipropylene glycol. mild fresh ethereal fermented yeasty
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.
Diisobutylcarbinol
Matrix Scientific
For experimental / research use only.
2,6-Dimethylheptan-4-ol, 85%
Moellhausen
2,6-DIMETHYL HEPTAN-4-OL
Odor: mild fresh, ethereal, fermented & yeasty
Parchem
2,6-dimethyl-4-heptanol
Pearlchem Corporation
Dimethyl Heptanol
Penta International
DIISOBUTYL CARBINOL
Santa Cruz Biotechnology
For experimental / research use only.
2,6-Dimethyl-4-heptanol
Sigma-Aldrich: Aldrich
For experimental / research use only.
2,6-Dimethyl-4-heptanol 80%
TCI AMERICA
For experimental / research use only.
2,6-Dimethyl-4-heptanol >85.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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:
intraperitoneal-rat LD50 800 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 22, 1974.

oral-mouse LD50 3530 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 4, 1961.

oral-rat LD50 3560 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Dermal Toxicity:
skin-rabbit LD50 4600 mg/kg
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 22, 1974.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/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: 4
Click here to view publication 4
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -20.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -20.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -20.00000
fruit ices: -20.00000
gelatins / puddings: -20.00000
granulated sugar: --
gravies: --
hard candy: -20.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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 7 (FGE.07): 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

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : 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
NLM Hazardous Substances Data Bank:Search
EPA Substance Registry Services (TSCA):108-82-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7957
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1157
WGK Germany:2
2,6-dimethylheptan-4-ol
Chemidplus:0000108827
EPA/NOAA CAMEO:hazardous materials
RTECS:MJ3325000 for cas# 108-82-7
 
References:
 2,6-dimethylheptan-4-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:108-82-7
Pubchem (cid):7957
Pubchem (sid):134973327
 
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
FDA Substances Added to Food (formerly EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31153
FooDB:FDB003167
Export Tariff Code:2905.19.9090
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
pseudo
methyl ionone
CS
lycopene
CS
acidic
acidic
cyclohexyl acetic acid
FL/FR
2-
ethyl butyric acid
FL/FR
alcoholic
fusel oil
FL/FR
propyl alcohol
FL/FR
aldehydic
iso
butyraldehyde
FL/FR
alliaceous
dibutyl sulfide
FL/FR
animal
piperidine
FL/FR
anisic
estragole
FL/FR
caramellic
2-oxo
butyric acid
FL/FR
levulinic acid
FL/FR
cheesy
butyric acid
FL/FR
citrus
petitgrain combava oil
FR
creamy
butyl lactate
FL/FR
ethereal
iso
propyl formate
FL/FR
fatty
4-
methyl octanoic acid
FL/FR
fermented
butyl laevo-lactate
FL/FR
propyl nonanoate
FL/FR
valeraldehyde
FL/FR
floral
phenethyl butyrate
FL/FR
fruity
butyl acetoacetate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
geranyl acetoacetate
FL/FR
tropical thiazole
FL/FR
green
(E)-2-
pentenal
FL/FR
herbal
white
cognac oil
FL/FR
jambu oleoresin
FL/FR
levisticum officinale root absolute
FL/FR
origanum oil
FL/FR
origanum oil greece
FL/FR
leathery
4-tert-
butyl phenol
CS
medicinal
ortho-
cresyl acetate
FL/FR
quinoline
CS
summer
savory oil
FL/FR
2,6-
xylenol
FL/FR
milky
laevo-
glutamine
CS
nutty
2,3-
dimethyl pyrazine
FL/FR
maraniol
CS
resorcinol
FR
spicy
ginger oleoresin africa
FL/FR
safrole
CS
white
sassafras oil
FL/FR
sulfurous
1-
phenethyl mercaptan
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
tonka
saffron resinoid
FL/FR
yeasty
laevo-
glutamic acid
CS
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
benzyl disulfide
FL
butyl acetoacetate
FL/FR
capsicum oleoresin
FL
ortho-
cresyl acetate
FL/FR
elecampane root absolute
FL
elecampane root oil
FL
fig leaf absolute
FL
fleabane oil (erigeron canadensis)
FL
geranyl acetoacetate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
(E,E)-2,4-
hexadien-1-ol
FL
2-
hexenal diethyl acetal
FL
1-
phenethyl mercaptan
FL/FR
piperidine
FL/FR
propyl nonanoate
FL/FR
3-
propyl pyridine
FL
1-
pyrroline
FL
white
sassafras oil
FL/FR
S-
tropical 2-thiobutyrate
FL/FR
wormseed oil america
FL
wormseed oil spain
FL
acidic
acidic
2-
ethyl butyric acid
FL/FR
levulinic acid
FL/FR
alcoholic
propyl alcohol
FL/FR
aldehydic
iso
butyraldehyde
FL/FR
alliaceous
dipropyl trisulfide
FL
tropical thiazole
FL/FR
ammoniacal
2-
methyl piperidine
FL
balsamic
peru balsam
FL
styrax gum (liquidambar styraciflua)
FL
bitter
glyceryl tributyrate
FL
brown
2-oxo
butyric acid
FL/FR
burnt
2,6-
xylenol
FL/FR
buttery
butyl laevo-lactate
FL/FR
diacetyl
FL
coconut
(R)-
massoia lactone
FL
6-
methyl coumarin
FL
coffee
diisoamyl thiomalate
FL
cooling
jambu oleoresin
FL/FR
creamy
2-
propanoyl thiophene
FL
cucumber
2-
ethyl octine carbonate
FL
dairy
butyl lactate
FL/FR
fatty
4-
methyl octanoic acid
FL/FR
2,4-
octadien-1-ol
FL
fermented
methyl thio isovalerate
FL
floral
pseudo
ionone
FL
fruity
acetyl isovaleryl
FL
fusel oil
FL/FR
methyl formate
FL
phenethyl butyrate
FL/FR
iso
propyl formate
FL/FR
fusel
white
cognac oil
FL/FR
green
dibutyl sulfide
FL/FR
3,4-
dimethoxystyrene
FL
(E)-2-
hexenal diethyl acetal
FL
(E)-2-
pentenal
FL/FR
iso
phorone
FL
herbal
origanum oil
FL/FR
origanum oil greece
FL/FR
licorice
estragole
FL/FR
meaty
3-
mercapto-2-butanone
FL
ortho-
thioguaiacol
FL
medicinal
summer
savory oil
FL/FR
nutty
2,3-
dimethyl pyrazine
FL/FR
oily
tetrahydrofurfuryl propionate
FL
powdery
powdery ketone
FL
seafood
1,4-
dithiane
FL
sour
butyric acid
FL/FR
3-
methyl valeric acid
FL
spicy
benzylidene acetone
FL
ginger oleoresin africa
FL/FR
levisticum officinale root absolute
FL/FR
paprika oleoresin
FL
winter
savory oil
FL
sulfurous
methyl thiomethyl butyrate
FL
sweet
cyclohexyl acetic acid
FL/FR
saffron resinoid
FL/FR
vegetable
2-
octen-4-one
FL/FR
radish isothiocyanate
FL
winey
valeraldehyde
FL/FR
 
Potential Uses:
FRcypress oil replacer
FRearth
FRfennel
FRfern
FRfir needle oil replacer
FRfungus
FRgalbanum
FRpatchouli
FLpea green pea
FL/FRpine scotch pine
FRroot
FRrose geranium
 truffle
FRvetiver
FLyeast
 
Occurrence (nature, food, other):note
 wine
Search Picture
 
Synonyms:
 carbinol, di-isobutyl-
 diisobutyl carbinol
 diisobutylcarbinol
 diisobutylene carbinol
2,6-dimethyl heptan-4-ol
2,6-dimethyl heptanol-4
2,6-dimethylheptan-4-ol
4-heptanol, 2, 6-dimethyl-
4-heptanol, 2,6-dimethyl-
4-hydroxy-2,6-dimethyl heptane
sec-nonyl alcohol
 
 
Notes:
Flavouring ingredient
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