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

2,4-hexadien-1-ol
2,4-hexadienol

Sponsors

CAS Number: 111-28-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-853-9
FDA UNII:11CF2E3HNG
MDL:MFCD00002925
CoE Number:2162
XlogP3-AA:1.10 (est)
Molecular Weight:98.14490000
Formula:C6 H10 O
NMR Predictor:Predict (works with chrome or firefox)
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
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1174 2,4-hexadien-1-ol
Flavis Number:02.162 (Old)
DG SANTE 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
 
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)
Soluble in:
 alcohol
 water, 2.475e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:> 1 hour(s) at 100.00 %
musty green sweet herbal almond nutty
Odor Description:at 10.00 % in dipropylene glycol. musty green sweet herbal almond nutty
musty green sweet marzipan raw almond nutty vegetable whiskey
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)
Flavor Type: fruity
fruity tropical green vegetable
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)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
2,4-HEXADIEN-1-OL (SORBIC ALCOHOL) ≥98.0%, Kosher
Odor Description:fresh green, pineapple herbal
Taste Description:fruity
Used primarily in pineapple flavors.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
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.
BOC Sciences
For experimental / research use only.
2,4-Hexadien-1-ol 98.0%
Penta International
2,4-HEXADIEN-1-OL, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
2,4-Hexadien-1-ol
Synerzine
2,4-Hexadien-1-ol
TCI AMERICA
For experimental / research use only.
2,4-Hexadien-1-ol >98.0%(GC)
 
Safety Information:
Preferred SDS: View
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
 
Safety in Use Information:
Category: flavoring agents and cosmetic fragrance agents
Recommendation for 2,4-hexadien-1-ol usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
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
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: 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: --
 
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
View page or View 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
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 203, Revision 2 (FGE.203Rev2): 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
View page or View pdf
EPI System: View
Cancer Citations:Search
EPA Substance Registry Services (TSCA):111-28-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8104
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
hexa-2,4-dien-1-ol
Chemidplus:0000111284
RTECS:MM3325000 for cas# 111-28-4
 
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
 
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
HMDB (The Human Metabolome Database):Search
FooDB:FDB009558
Export Tariff Code:2905.22.5050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
acetyl acetaldehyde dimethyl acetal
FL
2-
acetyl-2-pyrroline
FL
butyramide
FL
chocolate pyrazine B
FL
cyclohexyl methyl pyrazine
FL
2,5-
diethyl thiazole
FL
2,5-
diethyl-4-methyl thiazole
FL
6,7-
dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL
dimethyl dihydrocyclopentapyrazine
FL
2,5-
dimethyl thiazole
FL
5-
ethyl-2-thiophene carboxaldehyde
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
3-(2-
furyl) acrolein
FL
(E,E)-2,4-
heptadien-1-ol
FL
2,4-
heptadien-1-ol
FL
2-
hexenal
FL
2-
hexyl-5 or 6-keto-1,4-dioxane
FL
methyl 2-(methyl thio) acetate
FL
4-
methyl salicylaldehyde
FL
peanut dithiazine
FL
2-
propyl pyridine
FL
para-
salicylic acid
FL
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
sulfuryl formate
FL
alliaceous
alliaceous
allyl thiopropionate
FL
2-
methyl thioacetaldehyde
FL
bready
2-
propionyl thiazole
FL
burnt
2-
methyl quinoxaline
FL
buttery
butyroin
FL
coffee
difurfuryl ether
FL
2-iso
propyl pyrazine
FL
corn chip
2-
acetyl-2-thiazoline
FL
ethereal
4-
hexen-3-one
FL
fatty
(E,E)-2,4-
decadienal
FL
(E,E)-2,4-
nonadienal
FL
fishy
4,5-
dimethyl thiazole
FL
fruity
cherry laurel oil
FL
tropical
fruit flavor
FL
kiwi flavor
FL
lychee flavor
FL
2-
mercapto-4-heptanol
FL
3-
mercaptohexyl hexanoate
FL
(Z)-3-
nonen-1-yl acetate
FL
papaya guava flavor
FL
passion fruit distillates
FL
green
dihydroxyacetophenone (mixed isomers)
FL
2,5-
dimethyl thiophene
FL
2-
hexyl pyridine
FL
horseradish oil
FL
4-
methyl thiazole
FL
2-
methyl-5-isopropyl pyrazine
FL
4-
penten-1-yl acetate
FL
2-
propyl pyrazine
FL
2-
vinyl pyrazine
FL
musty
2-
ethoxythiazole
FL
propionaldehyde
FL
nutty
aconitic acid
FL
3,5(6)-
cocoa pyrazine
FL
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
2,4-
dimethyl-5-vinyl thiazole
FL
1-
ethyl-2-acetyl pyrrole
FL
nutty thiazole
FL
peanut oxazole
FL
popcorn
2-
propionyl-2-thiazoline
FL
powdery
powdery ketone
FL
tropical
3-
mercaptohexyl butyrate
FL
psidium guajava fruit
FL
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
 almondFL
 appleFL
 asparagus 
 fresh 
 greenFL
 herbalFL
 kiwiFL
 mangoFL
 nutFL
 pearFL
 pineappleFL
 
Occurrence (nature, food, other):note
 aloe arborescens mill. var. natalensis berger
Search Trop Picture
 asparagus
Search Trop Picture
 asparagus cooked asparagus
Search Trop Picture
 naranjilla fruit
Search Trop Picture
 soybean plant
Search Trop Picture
 
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
 

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.
 
Notes:
None found
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