3,5,5-trimethyl hexanol
3,5,5-trimethyl-1-hexanol
 
Notes:
None found
  • Augustus Oils
    • Augustus Oils Ltd
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  • Berjé
    • Berje Inc.
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  • BOC Sciences
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      3452-97-9 3,5,5-Trimethyl-1-hexanol 95%
       
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  • Synerzine
    • Synerzine, Inc.
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      W0240 3,5,5-Trimethyl-1-hexanol
       
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      T0596 3,5,5-Trimethyl-1-hexanol >85.0%(GC)
       
  • The Lermond Company
    • The Lermond Company
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      The Lermond family has been sourcing raw materials for the flavor and fragrance industry for nearly 7 decades.
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      10153 ALCOHOL C-9 OXO
      32405 ISO NONYL ALCOHOL
       
Synonyms   Articles   Notes   Search
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
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 (SATF):3452-97-9 ; 3,5,5-TRIMETHYL-1-HEXANOL
Synonyms   Articles   Notes   Search   Top
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 mmHg @ 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)
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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)
 
 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).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: fragrance
solvents
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Suppliers:
Augustus Oils
Iso Nonyl Alcohol
Services
Berjé
isoNonyl Alcohol
Happening at Berje
BOC Sciences
For experimental / research use only.
3,5,5-Trimethyl-1-hexanol 95%
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
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)
The Lermond Company
ALCOHOL C-9 OXO
The Lermond Company
ISO NONYL ALCOHOL
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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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Click here to view publication 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: --
Synonyms   Articles   Notes   Search   Top
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
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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
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (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): HMDB31198
FooDB: FDB003214
Export Tariff Code: 2905.19.9090
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
aldehydic
 green hexanalFL/FR
alliaceous
 dibutyl sulfideFL/FR
balsamic
 abies alba needle oilFL/FR
 hemlock western oil (tsuga heterophylla) canadaFR
 spruce needle absoluteFL/FR
citrus
 citronella oilFL/FR
 citronellal / methyl anthranilate schiff's baseFR
 lemongrass oilFL/FR
 litsea cubeba fruit oilFL/FR
 myrcenyl acetateFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
2-octanone oximeFR
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
ethereal
 cyclohexyl formateFL/FR
fatty
(R)-dihydro-gamma-ionone 
5-methyl-5-hexen-2-oneFL/FR
floral
 bois de rose oil terpenelessFL/FR
 cassie absoluteFL/FR
 cassie concreteFR
 dimethyl benzyl carbinyl butyrateFL/FR
 gardenia oxideFR
 geranium oil moroccoFL/FR
2-methyl-4-phenyl butanalFL/FR
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 mimosa absolute moroccoFL/FR
 petitgrain bigarade oilFL/FR
 phenyl acetaldehyde 2,3-butylene glycol acetalFL/FR
(R)-styralyl alcoholFL/FR
 styralyl propionateFL/FR
fruity
(Z)-3-hexen-1-yl isobutyrateFL/FR
 leather propionateFR
 methyl anthranilateFL/FR
2-methyl-2-pentenalFL/FR
2-nonanoneFL/FR
 prenyl ethyl etherFL/FR
 styralyl butyrateFL/FR
 alfalfa absoluteFR
 alfalfa oilFL/FR
 alfalfa resinoidFL/FR
 bark carbaldehydeFR
 butyl 2-methyl butyrateFL/FR
 butyl heptanoateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
 cumin acetaldehydeFL/FR
isocyclocitral (IFF)FL/FR
alpha,alpha-dimethyl benzyl alcoholFL/FR
2,6-dimethyl octanalFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 earthy acetalFL/FR
 geranic acidFL/FR
isogreen methanoindeneFR
 green specialtyFR
(Z)-3-hepten-1-olFL/FR
3-hepten-2-oneFL/FR
 heptyl heptanoateFL/FR
 hexanal dihexyl acetalFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexenalFL/FR
 hexyl butyrateFL/FR
 hexyl hexanoateFL/FR
 leafy oximeFR
 lilac acetaldehydeFL/FR
 manzanate (Givaudan)FL/FR
 methyl cyclocitrone (IFF)FR
isopropyl quinolineFR
 propylene acetalFL/FR
herbal
 angelica archangelica seed extractFL/FR
1,8-cineoleFL/FR
 clary sage resin americaFR
isodihydrolavandulalFL/FR
 herbal ketoneFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 hyssop oilFL/FR
spike lavender oilFL/FR
 oregano specialtyFR
 yerba mate absoluteFL/FR
minty
 peppermint oil americaFL/FR
 peppermint oil idahoFL/FR
(-)-isopulegolFL/FR
isopulegolFL/FR
 spearmint oil americaFL/FR
mossy
 oakmoss absoluteFL/FR
naphthyl
ortho-methyl anisoleFL/FR
nutty
2-ethyl pyrazineFL/FR
spicy
3-(2-furyl) acroleinFL/FR
 myrtenalFL/FR
black pepper oil CO2 extractFL/FR
sulfurous
 mango thiolFL/FR
tropical
 genet absoluteFL/FR
woody
 dryopteris filix-mas oleoresinFR
 
For Flavor
 
No flavor group found for these
2-acetyl-4-isopropenyl pyridineFL
2-acetyl-4-isopropyl pyridineFL
 butyl 2-methyl butyrateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
(R)-dihydro-gamma-ionone 
alpha,alpha-dimethyl benzyl alcoholFL/FR
 earthy acetalFL/FR
2-ethyl pyridineFL
3-(2-furyl) acroleinFL/FR
(Z)-3-hepten-1-olFL/FR
2-heptenoic acidFL
 hexanal dihexyl acetalFL/FR
(Z)-3-hexenoic acidFL
(Z)-linalool oxide (furanoid)FL/FR
3-(methyl thio) hexanalFL
2-methyl-4-phenyl butanalFL/FR
(E,E)-3,5-octadien-2-oneFL
 phenyl acetaldehyde 2,3-butylene glycol acetalFL/FR
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
 prenyl ethyl etherFL/FR
 propylene acetalFL/FR
(R)-styralyl alcoholFL/FR
balsamic
 spruce needle absoluteFL/FR
camphoreous
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
ortho-methyl anisoleFL/FR
2-nonanoneFL/FR
citrus
 citronella oilFL/FR
 lemongrass oilFL/FR
 litsea cubeba fruit oilFL/FR
 myrcenyl acetateFL/FR
 petitgrain bigarade oilFL/FR
 styralyl propionateFL/FR
cooling
spike lavender oilFL/FR
 manzanate (Givaudan)FL/FR
 peppermint oil americaFL/FR
creamy
3-hepten-2-oneFL/FR
ethereal
5-methyl-5-hexen-2-oneFL/FR
floral
 bois de rose oil terpenelessFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 geranium oil moroccoFL/FR
 mimosa absolute moroccoFL/FR
fruity
 butyl heptanoateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl hexanoateFL/FR
 lilac acetaldehydeFL/FR
 methyl anthranilateFL/FR
2-methyl-2-pentenalFL/FR
 styralyl butyrateFL/FR
green
 alfalfa oilFL/FR
 alfalfa resinoidFL/FR
 cumin acetaldehydeFL/FR
isocyclocitral (IFF)FL/FR
 cyclohexyl formateFL/FR
 dibutyl sulfideFL/FR
3,4-dimethoxystyreneFL
2,6-dimethyl octanalFL/FR
 geranic acidFL/FR
 heptyl heptanoateFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexenalFL/FR
 hexyl butyrateFL/FR
 oakmoss absoluteFL/FR
hay
 genet absoluteFL/FR
herbal
 angelica archangelica seed extractFL/FR
isodihydrolavandulalFL/FR
 green hexanalFL/FR
 hyssop oilFL/FR
 yerba mate absoluteFL/FR
minty
1,8-cineoleFL/FR
 myrtenalFL/FR
 peppermint oil idahoFL/FR
(-)-isopulegolFL/FR
isopulegolFL/FR
 spearmint oil americaFL/FR
nutty
2-ethyl pyrazineFL/FR
spicy
 cassie absoluteFL/FR
black pepper oil CO2 extractFL/FR
sulfurous
 mango thiolFL/FR
terpenic
 abies alba needle oilFL/FR
vegetable
alpha-benzylidene methionalFL
waxy
 mimosa absoluteFL/FR
 mimosa absolute franceFL/FR
 mimosa absolute indiaFL/FR
 
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Potential Uses:
 aldehydicFR
 berryFR
 currantFR
 earthFR
 grapeFR
 grass 
 greenFR
 herbalFR
 licoriceFR
 melonFR
 natural 
 solvents 
 teaFL
Synonyms   Articles   Notes   Search   Top
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   Articles   Notes   Search   Top
Synonyms:
 alcohol C-9 oxo
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
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