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

allyl acetone
hex-5-en-2-one

Supplier Sponsors

Name:hex-5-en-2-one
CAS Number: 109-49-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-675-1
FDA UNII:XWM6RL9YEI
Nikkaji Web:J1.503B
Beilstein Number:1699137
MDL:MFCD00008793
XlogP3:1.00 (est)
Molecular Weight:98.14490000
Formula:C6 H10 O
BioActivity Summary:listing
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
FLAVIS Number:07.162 (Old)
DG SANTE Food Flavourings:07.162 hex-5-en-2-one
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83900 to 0.84500 @ 25.00 °C.
Pounds per Gallon - (est).: 6.981 to 7.031
Refractive Index:1.41800 to 1.42400 @ 20.00 °C.
Boiling Point: 128.00 °C. @ 760.00 mm Hg
Vapor Pressure:21.300000 mmHg @ 25.00 °C.
Flash Point: 75.00 °F. TCC ( 23.89 °C. )
logP (o/w): 1.020
Soluble in:
 alcohol
 water, 1.593e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: ethereal
Odor Strength:medium
ethereal floral
Odor Description:at 100.00 %. ethereal floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Carbosynth
For experimental / research use only.
5-Hexen-2-one
CJ Latta & Associates
ALLYL ACETONE
Endeavour Specialty Chemicals
5-Hexen-2-one 98% F&F
Speciality Chemical Product Groups
Kingchem Laboratories
5-HEXEN-2-ONE
Kingchem Laboratories
ALLYL ACETONE (5-HEXEN-2-ONE)
Odor: Faint, ethereal odor with slight floral note
Penta International
ALLYL ACETONE
R C Treatt & Co Ltd
5-Hexen-2-one
Robinson Brothers
5-Hexen-2-one F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
5-Hexen-2-one
Sigma-Aldrich: Aldrich
For experimental / research use only.
5-Hexen-2-one 99%
TCI AMERICA
For experimental / research use only.
5-Hexen-2-one >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 36/37/39 - Wear suitable clothing, gloves 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents and cosmetic fragrance agents
IFRA Purity Specification: < 0.1% free allyl alcohol
IFRA: View Standard
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.049 (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):

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : 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

Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): 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

Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): 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

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 Substance Registry Services (TSCA):109-49-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7989
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:3
hex-5-en-2-one
Chemidplus:0000109499
 
References:
 hex-5-en-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:109-49-9
Pubchem (cid):7989
Pubchem (sid):134973676
Pherobase:View
 
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
Export Tariff Code:2914.50.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 maple syrup
Search PMC Picture
 osmanthus
Search Trop Picture
 
Synonyms:
 allyl acetone
 allyl acetone (5-hexen-2-one)
 allylacetone
3-buten-1-yl methyl ketone
 hex-5-en-2-one
5-hexen-2-one
1-hexen-5-one
5-hexene-2-one
 
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy