3,5,5-trimethyl hexanol
3,5,5-trimethyl-1-hexanol
 
Notes:
None found
  • Berjé
    • Berje Inc.
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      Where the world comes to its senses - Berjé is a global distributor of Essential Oils and Aromatic Chemicals.
      Berjé is a family-owned business that has been in operation for six decades. The company's origins and strength lie in a profound understanding of the supply and the quality of the diverse raw materials consumed by the flavor and fragrance industries. This base was expanded upon more than two decades ago to include fragrance production. The company's unparalleled raw material expertise is focused on the supply of essential oils and aromatic chemicals. This is supported by our long-standing relationships with a worldwide fabric of producers ensuring the greatest prospects for uninterrupted supply in markets that are often volatile and unpredictable.
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      isoNonyl Alcohol
       
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  • Moellhausen
    • Moellhausen S.P.A.
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  • Penta International
    • Penta International Corporation
      Chemistry innovation
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      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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  • Sigma-Aldrich
    • Sigma-Aldrich
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      Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards.
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      Certified Food Grade Products
      Product(s):
      W332402 3,5,5-Trimethyl-1-hexanol, ≥85%
      SDS
       
Synonyms   Articles   Notes   Search
3,5,5-trimethylhexan-1-ol (Click)
CAS Number: 3452-97-9Picture of molecule
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
IBM Patents: Obtain
Obtain
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 Mainterm: 3,5,5-TRIMETHYL-1-HEXANOL
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Physical Properties:
Appearance: colorless clear oily liquid (est)
Assay: 85.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.82400 @  25.00 °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)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 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)
 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)
Substantivity: 16 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: masking agents
solvents
Synonyms   Articles   Notes   Search   Top
Suppliers:
Berjé
isoNonyl Alcohol
Happening at Berje
CG Herbals
isoNonanol
Diffusions Aromatiques
ALCOOL OXO C9
Ernesto Ventós
TRIMETHYLHEXANOL
Odor: GREEN, GRASSY, FLORAL, HEARTHY
Indukern F&F
ISONONYL ALCOHOL
CROP CALENDAR
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
TCI AMERICA
For experimental / research use only.
3,5,5-Trimethyl-1-hexanol >85.0%(GC)
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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
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: --
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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 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
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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
 litsea cubeba fruit oilFL/FR
earthy
(Z)-linalool oxide (furanoid)FL/FR
scotch pine needle oilFL/FR
scotch pine needle oil estoniaFL/FR
scotch pine needle oil yugoslaviaFL/FR
fatty
5-methyl-5-hexen-2-oneFL/FR
floral
 cassie absoluteFL/FR
 cassie concreteFR
 gardenia oxideFR
2-methyl-4-phenyl butanalFL/FR
 mimosa absolute franceFL/FR
 phenyl acetaldehyde 2,3-butylene glycol acetalFL/FR
 styralyl propionateFL/FR
fruity
 leather propionateFR
2-methyl-2-pentenalFL/FR
2-nonanoneFL/FR
 styralyl butyrateFL/FR
green
 bark carbaldehydeFR
 butyl heptanoateFL/FR
sec-butyl-3-methyl but-2-ene thioateFL/FR
3,7-dimethyl-6-octenoic acidFL/FR
 earthy acetalFL/FR
isogreen methanoindeneFR
(Z)-3-hepten-1-olFL/FR
3-hepten-2-oneFL/FR
 heptyl heptanoateFL/FR
 hexanal dihexyl acetalFL/FR
(Z)-3-hexenalFL/FR
 leafy oximeFR
 lilac acetaldehydeFL/FR
 methyl cyclocitrone (IFF)FR
isopropyl quinolineFR
 propylene acetalFL/FR
herbal
 herbal ketoneFR
naphthyl
ortho-methyl anisoleFL/FR
 
For Flavor
 
No flavor group found for these
sec-butyl-3-methyl but-2-ene thioateFL/FR
 earthy acetalFL/FR
2-ethyl pyridineFL
3-(2-furyl) acroleinFL
 green hexanalFL/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
5-methyl-5-hexen-2-oneFL/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
 propylene acetalFL/FR
balsamic
 spruce needle absoluteFL/FR
camphoreous
ortho-methyl anisoleFL/FR
cheesy
2-nonanoneFL/FR
citrus
 litsea cubeba fruit oilFL/FR
 styralyl propionateFL/FR
coconut
 butyl heptanoateFL/FR
creamy
3-hepten-2-oneFL/FR
floral
3,7-dimethyl-6-octenoic acidFL/FR
fruity
 lilac acetaldehydeFL/FR
2-methyl-2-pentenalFL/FR
 styralyl butyrateFL/FR
green
alpha-benzylidene methionalFL
 dibutyl sulfideFL/FR
 heptyl heptanoateFL/FR
(Z)-3-hexenalFL/FR
spicy
 cassie absoluteFL/FR
terpenic
 abies alba needle oilFL/FR
waxy
 mimosa absolute franceFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 aldehydicFR
 berryFR
 currantFR
 earth humusFR
 grapeFR
 grass 
 greenFR
 herbalFR
 licoriceFR
 melonFR
 natural 
 solvents 
 tea 
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Occurrence (nature, food, other): note
 crab
Search  Picture
 currant black currant bud
Search Trop  Picture
 rosemary plant
Search Trop  Picture
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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
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