2,4-hexadien-1-ol
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
      US Email: Customer Service
      US Voice: 1-203-830-4000
      US Fax: 1-203-830-4010
      Products List: View
      Product(s):
      220 2,4-HEXADIEN-1-OL (SORBIC ALCOHOL) ≥98.0%, Kosher
      MSDS

      Used primarily in pineapple flavors.
       
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      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.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
      US Fax: (973) 740-1839
      Product(s):
      08-21050 2,4-HEXADIEN-1-OL, Kosher
       
 
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hexa-2,4-dien-1-ol (Click)
CAS Number: 111-28-4
ECHA EC Number: 203-853-9
FDA UNII: 11CF2E3HNG
FEMA Number: 3922
CoE Number: 2162
XlogP3-AA: 1.10 (est)
Molecular Weight: 98.14490000
Formula: C6 H10 O
NMR Predictor: Predict
Category: flavoring agents and cosmetic 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
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1174  2,4-hexadien-1-ol
Flavis Number: 02.162 (Old)
EU SANCO Food Flavourings: 02.162  hexa-2,4-dien-1-ol

FEMA Number: 3922  2,4-hexadien-1-ol
FDA Mainterm: 2,4-HEXADIEN-1-OL
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Physical Properties:
Appearance: colorless solid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.88000 to 0.90000 @  25.00 °C.
Pounds per Gallon - (est).: 7.322 to  7.489
Refractive Index: 1.49000 to 1.51000 @  20.00 °C.
Melting Point: 24.00 to  33.00 °C. @ 760.00 mm Hg
Boiling Point: 90.00 °C. @ 20.00 mm Hg
Boiling Point: 179.00 to  180.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.281000 mm/Hg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 160.00 °F. TCC ( 71.11 °C. )
logP (o/w): 1.083 (est)
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol. 
musty green sweet herbal almond nutty
Odor Description:
at 1.00 %.  
Slight musty and green with a sweet marzipan, raw almond nutty note with a vegetative and a slight whiskey nuance
Mosciano, Gerard P&F 25, No. 5, 72, (2000)
Taste Description:
at 10.00 - 40.00 ppm. 
Fruity and tropical with a slight green and vegetative nuance
Mosciano, Gerard P&F 25, No. 5, 72, (2000)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Bedoukian Research
2,4-HEXADIEN-1-OL (SORBIC ALCOHOL)
≥98.0%, Kosher
Odor: fresh green, pineapple herbal
Flavor: fruity
Used primarily in pineapple flavors.
CTC Organics
2,4-hexadienol
Penta International
2,4-HEXADIEN-1-OL, Kosher
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Safety Information:
European information :
Most important hazard(s):
Xn - Harmful.
  R 21 - Harmful in contact with skin.
R 36/38 - Irritating to skin and eyes.
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 36 - Wear suitable protective clothing.
S 36/39 - Wear suitable clothing and eye/face protection.
 
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  2140 uL/kg
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Dermal Toxicity:
  skin-human TDLo 14 mg/kg
SKIN AND APPENDAGES (SKIN): SWEATING: OTHER
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 221, 1945.

skin-rabbit LD50 1010 uL/kg
Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

subcutaneous-rabbit LDLo 5000 mg/kg
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 221, 1945.

Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category: flavoring agents and cosmetic fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (μg/capita/day)
Structure Class: I
Recommendation for 2,4-hexadien-1-ol usage levels up to:
  8.0000 % 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 on the "Resources" link.
publication number: 19. Update in publication number(s): 20
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 1.000006.00000
beverages(alcoholic): 0.500001.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 2.000004.00000
confectionery froastings: 0.100001.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.000004.00000
fruit ices: --
gelatins / puddings: 0.700002.00000
granulated sugar: 0.073000.07300
gravies: 0.300003.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: 1.000002.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.100000.50000
snack foods: 0.400000.40000
soft candy: 1.000002.00000
soups: 0.130000.13000
sugar substitutes: --
sweet sauces: --
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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):
Flavouring Group Evaluation 203: alpha,beta-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double bonds and with or without additional non-conjugated double bonds
page or pdf
Scientific Opinion on Flavouring Group Evaluation 203, Revision 1 (FGE.203Rev1): a,-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds
page or pdf
EPI System: View
Chemicalize.org: Calculate predicted properties
Cancer Citations: Search
EPA Substance Registry Services (TSCA): 111-28-4
EPA ACToR: Toxicology Data
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 hexa-2,4-dien-1-ol
Chemidplus: 0000111284
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References:
 hexa-2,4-dien-1-ol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 111-28-4
Pubchem (cid): 8104
Pubchem (sid): 134975014
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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
Export Tariff Code: 2916.19.4000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
ortho-acetanisoleFL/FR
 acetophenoneFL/FR
 acetyl acetaldehyde dimethyl acetalFL
2-acetyl furanFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
2-acetyl-2-pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
 allyl 2-ethyl butyrateFL/FR
isoamyl nonanoateFL/FR
alpha-angelica lactoneFL/FR
ortho-anisaldehydeFL/FR
 benzaldehydeFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzaldehyde dimethyl acetalFL/FR
 benzaldehyde glycrol acetalFL/FR
2-benzofuran carboxaldehydeFL/FR
 benzothiazoleFL/FR
 bornyl isobutyrateFL/FR
 boronia butenalFR
 bread thiopheneFL/FR
2-sec-butyl-3-methoxypyrazineFL/FR
 butyramideFL
 butyroinFL
 cherry laurel oilFL
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
3,5-cocoa pyrazineFL/FR
3,5(6)-cocoa pyrazineFL
3,6-cocoa pyrazineFL/FR
 coconut absoluteFL/FR
 coffee furanoneFL/FR
 coumaneFL/FR
 coumarinFR
para-cresyl laurateFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl cinnamateFL/FR
 cyclohexyl methyl pyrazineFL
(E,E)-2,4-decadienalFL
 dibenzyl ketoneFL/FR
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dihydroxyacetophenone (mixed isomers)FL
2,4-dimethyl benzaldehydeFL/FR
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
4,5-dimethyl-2-ethyl-3-thiazolineFL/FR
2,4-dimethyl-5-vinyl thiazoleFL
2-ethoxythiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
4-ethyl benzaldehydeFL/FR
2-ethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
5-ethyl-2-methyl pyridineFL
5-ethyl-2-thiophene carboxaldehydeFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 filbert heptenoneFL/FR
 filbert pyrazineFL/FR
 furfuralFL/FR
 furfuryl thioacetateFL/FR
3-(2-furyl) acroleinFL
 geranyl crotonateFR
 hazelnut pyrazineFL/FR
gamma-heptalactoneFL/FR
2-heptyl furanFL/FR
3,4-hexane dioneFL/FR
2-hexenalFL
 hexyl pivalateFR
2-hexyl-5 or 6-keto-1,4-dioxaneFL
2,6-lutidineFL/FR
 maraniolCS
 menthofuranFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2-methoxypyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
ortho-methyl acetophenoneFL/FR
ortho-methyl anisoleFL/FR
para-methyl anisoleFL/FR
 methyl benzoateFL/FR
2-methyl butyraldehydeFL/FR
 methyl heptenoneFL/FR
 methyl phenyl acetateFL/FR
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl salicylaldehydeFL
4-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-methyl thioacetaldehydeFL
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
2-methyl-5-isopropyl pyrazineFL
(E,E)-2,4-nonadienalFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 octyl 2-methyl butyrateFL/FR
 peanut dithiazineFL
 peanut oxazoleFL
 phenyl acetaldehyde diethyl acetalFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl pyruvic acidFL/FR
 popcorn pyrimidineFL/FR
 powdery ketoneFL
 propionaldehydeFL
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propyl benzoateFL/FR
2-isopropyl pyrazineFL
2-propyl pyridineFL
 saffron pyranoneFR
para-salicylic acidFL
 shoyu pyrazineFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
 tobacco butenalFR
 tolualdehyde glyceryl acetalFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
2,4,5-trimethyl oxazoleFL/FR
2,3,5-trimethyl pyrazineFL/FR
 tropical thiazoleFL/FR
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL/FR
 whiskey lactoneFL/FR
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Potential Uses:
 almondFL
 appleFL
 asparagus 
 fresh 
 greenFL
 herbalFL
 kiwiFL
 mangoFL
 nutFL
 pearFL
 pineappleFL
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Natural Occurrence in: note
 aloe arborescens mill. var. natalensis berger
GRIN Trop Picture
 asparagus
GRIN Trop Picture
 asparagus cooked asparagus
GRIN Trop Picture
 naranjilla fruit
GRIN Trop Picture
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Synonyms:
 hexa-2,4-dien-1-ol
2,4-hexadien-1-ol
2,4-hexadien-1-ol (sorbic alcohol)
2,4-hexadieneol
2,4-hexadienol
1-hydroxy-2,4-hexadiene
 mimoril
 sorbic alcohol
 sorbinic alcohol
 sorbyl alcohol
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Articles:
PubMed: Synthesis of all-cis 2,5-imino-2,5-dideoxy-fucitol and its evaluation as a potent fucosidase and galactosidase inhibitor.
PubMed: The acyl nitroso Diels-Alder (ANDA) reaction of sorbate derivatives: an X-ray and 15N NMR study with an application to amino-acid synthesis.
PubMed: Aryl-alcohol oxidase involved in lignin degradation: a mechanistic study based on steady and pre-steady state kinetics and primary and solvent isotope effects with two alcohol substrates.
PubMed: Catalytic enantioselective Diels-Alder reaction by self-assembly of the components on a Lewis acid template.
PubMed: Spectral and catalytic properties of aryl-alcohol oxidase, a fungal flavoenzyme acting on polyunsaturated alcohols.
PubMed: Micellar catalysis of Diels-Alder reactions: substrate positioning in the micelle.
PubMed: Reactions of hydro(pero)xy derivatives of polyunsaturated fatty acids/esters with nitrite ions under acidic conditions. Unusual nitrosative breakdown of methyl 13-hydro(pero)xyoctadeca-9,11-dienoate to a novel 4-nitro-2-oximinoalk-3-enal product.
PubMed: Intramolecular diels-alder reaction by self-assembly of the components on a lewis acid template
PubMed: Purification and properties of methanol dehydrogenase from Methylosinus sp. WI 14.
PubMed: Protective effect of topically applied conjugated hexadienes against ultraviolet radiation-induced chronic skin damage in the hairless mouse.
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 alcohol
 water, 2.475e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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