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

3,5,5-trimethyl hexanol
3,5,5-trimethyl-1-hexanol

Sponsors

Name:3,5,5-trimethylhexan-1-ol
CAS Number: 3452-97-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:222-376-7
FDA UNII:O5KUD6I57K
Nikkaji Web:J142.877B
MDL:MFCD00036138
CoE Number:702
XlogP3-AA:3.00 (est)
Molecular Weight:144.25760000
Formula:C9 H20 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
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:268 3,5,5-trimethyl-1-hexanol
FLAVIS Number:02.055 (Old)
DG SANTE Food Flavourings:02.055 3,5,5-trimethylhexan-1-ol
FEMA Number:3324 3,5,5-trimethyl-1-hexanol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3,5,5-TRIMETHYL-1-HEXANOL
 
Physical Properties:
Appearance:colorless clear oily liquid (est)
Assay: 85.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.82800 to 0.83000 @ 20.00 °C.
Pounds per Gallon - (est).: 6.898 to 6.914
Refractive Index:1.43200 to 1.43400 @ 20.00 °C.
Boiling Point: 193.00 to 194.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.119000 mm/Hg @ 25.00 °C. (est)
Flash Point: 178.00 °F. TCC ( 81.11 °C. )
logP (o/w): 2.976 (est)
Soluble in:
 acetone
 alcohol
 ether
 water, 572 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:16 hour(s) at 100.00 %
grassy green weedy floral earthy aldehydic hay leafy
Odor Description:at 10.00 % in dipropylene glycol. grassy green weedy floral earthy aldehydic hay straw leaf
Luebke, William tgsc, (1983)
Odor sample from: Alpine Aromatics
green floral herbal cooling camphoreous woody melon berry
Odor Description:at 5.00 %. Green, floral, herbal, cooling, camphoreous, woody, melon and berry
Mosciano, Gerard P&F 23, No. 5, 49, (1998)
Flavor Type: green
green cooling herbal woody musty berry melon minty
Taste Description: at 10.00 ppm. Green, cooling, herbal, woody, musty, berry, melon, with minty nuances
Mosciano, Gerard P&F 23, No. 5, 49, (1998)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: masking agents
solvents
 
Suppliers:
Berjé
isoNonyl Alcohol
Happening at Berje
BOC Sciences
For experimental / research use only.
3,5,5-Trimethyl-1-hexanol 95%
CG Herbals
isoNonanol
Diffusions Aromatiques
ALCOOL OXO C9
Ernesto Ventós
TRIMETHYLHEXANOL
Odor: GREEN, GRASSY, FLORAL, HEARTHY
Indukern F&F
ISONONYL ALCOHOL
Inoue Perfumery
3,5,5-TRIMETHYLHEXANOL
Moellhausen
isoNONYL ALCOHOL
Odor: mild, fresh, ethereal, slightly fatty
Flavor: fresh herbaceous, minty note
Parchem
3,5,5-trimethyl hexanol
Penta International
ISONONYL ALCOHOL, LINEAR, Kosher
Sigma-Aldrich
3,5,5-Trimethyl-1-hexanol, ≥85%
Odor: oily; herbaceous
Certified Food Grade Products
Synerzine
3,5,5-Trimethyl-1-hexanol
TCI AMERICA
For experimental / research use only.
3,5,5-Trimethyl-1-hexanol >85.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 22 - Harmful if swallowed.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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 37/39 - Wear suitable gloves and eye/face protection.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
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
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for 3,5,5-trimethyl hexanol usage levels up to:
  1.0000 % in the fragrance concentrate.
 
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: 5
 average usual ppmaverage maximum ppm
baked goods: -30.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -30.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
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 Authority (EFSA) reference(s):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
EPA Substance Registry Services (TSCA):3452-97-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18938
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,5,5-trimethylhexan-1-ol
Chemidplus:0003452979
 
References:
 3,5,5-trimethylhexan-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:3452-97-9
Pubchem (cid):18938
Pubchem (sid):134984703
 
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 Everything Added to Food in the United States (EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31198
FooDB:FDB003214
Export Tariff Code:2905.19.9090
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
green hexanal
FL/FR
alliaceous
dibutyl sulfide
FL/FR
balsamic
abies alba needle oil
FL/FR
hemlock western oil (tsuga heterophylla) canada
FR
spruce needle absolute
FL/FR
citrus
citronella oil
FL/FR
citronellal / methyl anthranilate schiff's base
FR
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
myrcenyl acetate
FL/FR
earthy
(Z)-
linalool oxide (furanoid)
FL/FR
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
ethereal
cyclohexyl formate
FL/FR
fatty
5-
methyl-5-hexen-2-one
FL/FR
floral
bois de rose oil terpeneless
FL/FR
cassie absolute
FL/FR
cassie concrete
FR
dimethyl benzyl carbinyl butyrate
FL/FR
gardenia oxide
FR
geranium oil morocco
FL/FR
2-
methyl-4-phenyl butanal
FL/FR
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
mimosa absolute morocco
FL/FR
petitgrain bigarade oil
FL/FR
phenyl acetaldehyde 2,3-butylene glycol acetal
FL/FR
(R)-
styralyl alcohol
FL/FR
styralyl propionate
FL/FR
fruity
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
leather propionate
FR
methyl anthranilate
FL/FR
2-
methyl-2-pentenal
FL/FR
2-
nonanone
FL/FR
prenyl ethyl ether
FL/FR
styralyl butyrate
FL/FR
green
alfalfa absolute
FR
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
bark carbaldehyde
FR
butyl 2-methyl butyrate
FL/FR
butyl heptanoate
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
cumin acetaldehyde
FL/FR
iso
cyclocitral (IFF)
FL/FR
alpha,alpha-
dimethyl benzyl alcohol
FL/FR
2,6-
dimethyl octanal
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
earthy acetal
FL/FR
geranic acid
FL/FR
iso
green methanoindene
FR
green specialty
FR
(Z)-3-
hepten-1-ol
FL/FR
3-
hepten-2-one
FL/FR
heptyl heptanoate
FL/FR
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl butyrate
FL/FR
hexyl hexanoate
FL/FR
leafy oxime
FR
lilac acetaldehyde
FL/FR
manzanate (Givaudan)
FL/FR
methyl cyclocitrone (IFF)
FR
iso
propyl quinoline
FR
propylene acetal
FL/FR
herbal
angelica archangelica seed extract
FL/FR
1,8-
cineole
FL/FR
clary sage resin america
FR
iso
dihydrolavandulal
FL/FR
herbal ketone
FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
hyssop oil
FL/FR
spike
lavender oil
FL/FR
oregano specialty
FR
yerba mate absolute
FL/FR
minty
peppermint oil america
FL/FR
peppermint oil idaho
FL/FR
iso
pulegol
FL/FR
(-)-iso
pulegol
FL/FR
spearmint oil america
FL/FR
mossy
oakmoss absolute
FL/FR
naphthyl
ortho-
methyl anisole
FL/FR
nutty
2-
ethyl pyrazine
FL/FR
spicy
myrtenal
FL/FR
black
pepper oil CO2 extract
FL/FR
sulfurous
mango thiol
FL/FR
tropical
genet absolute
FL/FR
woody
dryopteris filix-mas oleoresin
FR
For Flavor
No flavor group found for these
2-
acetyl-4-isopropenyl pyridine
FL
2-
acetyl-4-isopropyl pyridine
FL
butyl 2-methyl butyrate
FL/FR
sec-
butyl-3-methyl but-2-ene thioate
FL/FR
alpha,alpha-
dimethyl benzyl alcohol
FL/FR
earthy acetal
FL/FR
2-
ethyl pyridine
FL
3-(2-
furyl) acrolein
FL
(Z)-3-
hepten-1-ol
FL/FR
2-
heptenoic acid
FL
hexanal dihexyl acetal
FL/FR
(Z)-3-
hexenoic acid
FL
(Z)-
linalool oxide (furanoid)
FL/FR
3-(
methyl thio) hexanal
FL
2-
methyl-4-phenyl butanal
FL/FR
(E,E)-3,5-
octadien-2-one
FL
phenyl acetaldehyde 2,3-butylene glycol acetal
FL/FR
scotch
pine needle oil
FL/FR
scotch
pine needle oil estonia
FL/FR
scotch
pine needle oil yugoslavia
FL/FR
prenyl ethyl ether
FL/FR
propylene acetal
FL/FR
(R)-
styralyl alcohol
FL/FR
balsamic
balsamic
spruce needle absolute
FL/FR
camphoreous
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
ortho-
methyl anisole
FL/FR
cheesy
2-
nonanone
FL/FR
citrus
citronella oil
FL/FR
lemongrass oil
FL/FR
litsea cubeba fruit oil
FL/FR
myrcenyl acetate
FL/FR
petitgrain bigarade oil
FL/FR
styralyl propionate
FL/FR
cooling
spike
lavender oil
FL/FR
manzanate (Givaudan)
FL/FR
peppermint oil america
FL/FR
creamy
3-
hepten-2-one
FL/FR
ethereal
5-
methyl-5-hexen-2-one
FL/FR
floral
bois de rose oil terpeneless
FL/FR
dimethyl benzyl carbinyl butyrate
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
geranium oil morocco
FL/FR
mimosa absolute morocco
FL/FR
fruity
butyl heptanoate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl hexanoate
FL/FR
lilac acetaldehyde
FL/FR
methyl anthranilate
FL/FR
2-
methyl-2-pentenal
FL/FR
styralyl butyrate
FL/FR
green
alfalfa oil
FL/FR
alfalfa resinoid
FL/FR
cumin acetaldehyde
FL/FR
iso
cyclocitral (IFF)
FL/FR
cyclohexyl formate
FL/FR
dibutyl sulfide
FL/FR
3,4-
dimethoxystyrene
FL
2,6-
dimethyl octanal
FL/FR
geranic acid
FL/FR
heptyl heptanoate
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexenal
FL/FR
hexyl butyrate
FL/FR
oakmoss absolute
FL/FR
hay
genet absolute
FL/FR
herbal
angelica archangelica seed extract
FL/FR
iso
dihydrolavandulal
FL/FR
green hexanal
FL/FR
hyssop oil
FL/FR
yerba mate absolute
FL/FR
minty
1,8-
cineole
FL/FR
myrtenal
FL/FR
peppermint oil idaho
FL/FR
(-)-iso
pulegol
FL/FR
iso
pulegol
FL/FR
spearmint oil america
FL/FR
nutty
2-
ethyl pyrazine
FL/FR
spicy
cassie absolute
FL/FR
black
pepper oil CO2 extract
FL/FR
sulfurous
mango thiol
FL/FR
terpenic
abies alba needle oil
FL/FR
vegetable
alpha-
benzylidene methional
FL
waxy
mimosa absolute
FL/FR
mimosa absolute france
FL/FR
mimosa absolute india
FL/FR
 
Potential Uses:
FRaldehydic
FRberry
FRcurrant
FRearth
FRgrape
 grass
FRgreen
FRherbal
FRlicorice
FRmelon
 natural
 solvents
FLtea
 
Occurrence (nature, food, other):note
 crab
Search PMC Picture
 currant black currant bud
Search Trop Picture
 orange bigarade oil @ 1.36%
Data GC Search Picture
 rosemary plant
Search Trop Picture
 
Synonyms:
tert-butyl isopentanol
 green hexanol
 hexan-1-ol, 3,5,5-trimethyl-
1-hexanol, 3,5,5-trimethyl-
isononanol
isononyl alcohol
isononyl alcohol, linear
 nonylol
3,5,5-trimethyl hexan-1-ol
 trimethyl hexanol
 trimethyl hexyl alcohol
3,5,5-trimethyl-1-hexanol
3,5,5-trimethylhexan-1-ol
3,5,5-trimethylhexanol
 
 
Notes:
None found
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