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

1-hexen-3-one
propyl vinyl ketone

Supplier Sponsors

Name:hex-1-en-3-one
CAS Number: 1629-60-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:216-625-9
FDA UNII:QH9D98Z86N
Nikkaji Web:J129.205F
MDL:MFCD00051563
XlogP3-AA:1.40 (est)
Molecular Weight:98.14490000
Formula:C6 H10 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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
FLAVIS Number:07.161 (Old)
DG SANTE Food Flavourings:07.161 hex-1-en-3-one
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84900 to 0.85500 @ 25.00 °C.
Pounds per Gallon - (est).: 7.065 to 7.114
Refractive Index:1.42000 to 1.42600 @ 20.00 °C.
Boiling Point: 25.00 to 26.00 °C. @ 11.00 mm Hg
Boiling Point: 128.00 °C. @ 760.00 mm Hg
Vapor Pressure:9.914000 mmHg @ 25.00 °C. (est)
Flash Point: 66.00 °F. TCC ( 18.89 °C. )
logP (o/w): 1.161 (est)
Soluble in:
 alcohol
 water, 7689 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
cooked vegetable metallic
Odor Description:at 0.10 % in propylene glycol. cooked vegetable metallic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
1-Hexen-3-one
BOC Sciences
For experimental / research use only.
1-Hexen-3-one
Carbosynth
For experimental / research use only.
1-Hexen-3-one
Penta International
1-HEXEN-3-ONE
Santa Cruz Biotechnology
For experimental / research use only.
1-Hexen-3-one ≥90% stabilized with 0.5% 4-methoxyphenol
WholeChem
1-Hexen-3-one
 
Safety Information:
Preferred SDS: View
 
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: flavoring agents
Recommendation for 1-hexen-3-one usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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):

Scientific Opinion on Flavouring Group Evaluation 205 (FGE.205): Consideration of genotoxicity data on representatives for 13 a,-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19 by EFSA
View page or View pdf

Scientific opinion of Flavouring Group Evaluation 205 Revision 1 (FGE.205Rev1): consideration of genotoxicity data on representatives for 13 a,-unsaturated aliphatic ketones with terminal double bonds and precursors from chemical subgroup 1.2.2 of FGE.19
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15395
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
hex-1-en-3-one
Chemidplus:0001629603
 
References:
 hex-1-en-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):15395
Pubchem (sid):134979688
Flavornet:1629-60-3
 
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
HMDB (The Human Metabolome Database):Search
FooDB:FDB029634
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FLartichoke
FLcorn
FRhop
 
Occurrence (nature, food, other):note
 artichoke - up to 0.00014 mg/kg
Search Trop Picture
 butter
Search PMC Picture
 corn seed oil
Search Trop Picture
 dill
Search Trop Picture
 dill herb
Search Trop Picture
 ham
PbMd Search PMC Picture
 honey
Search PMC Picture
 hop
Search Trop Picture
 milk
Search PMC Picture
 passion fruit
Search Trop Picture
 
Synonyms:
 hex-1-en-3-one
 hexenone
 propyl vinyl ketone
N-propyl vinyl ketone
 propylacrolein
 

Articles:

PubMed:Odour-active compounds in papaya fruit cv. Red Maradol.
PubMed:Additional vinyl ketones and their pyranyl ketones in gonyleptid harvestmen (Arachnida: Opiliones) suggest these metabolites are widespread in this family.
PubMed:Ru(CO)-salen-catalyzed synthesis of enantiopure aziridinyl ketones and formal asymmetric synthesis of (+)-PD 128907.
PubMed:Effects of ultraviolet light and ultrasound on microbial quality and aroma-active components of milk.
PubMed:6-Alkyl-3,4-dihydro-2H-pyrans: chemical secretion compounds in neotropical harvestmen.
PubMed:Mammal pollinators lured by the scent of a parasitic plant.
PubMed:Exposure to bisphenol A and other phenols in neonatal intensive care unit premature infants.
PubMed:Aroma components of American country ham.
PubMed:Trends in structure-toxicity relationships for carbonyl-containing alpha,beta-unsaturated compounds.
PubMed:A hybrid microdevice for electrophoresis and electrochromatography using UV detection.
PubMed:Stereochemistry of the biotransformation of 1-hexene and 2-methyl-1-hexene with rat liver microsomes and purified P450s of rats and humans.
PubMed:Purification and characterization of two enone reductases from Saccharomyces cerevisiae.
 
Notes:
Flavouring compound [Flavornet]
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