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filbert hexenone
5-methyl-3-hexen-2-one

Supplier Sponsors

BOC Sciences

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Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
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Product(s):
5166-53-0 5-Methyl-3-hexen-2-one

Endeavour Specialty Chemicals Ltd

Expertise in high impact aroma chemicals
Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale.
Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site.
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Product(s):
KT0180 5-Methyl-3-hexen-2-one

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.
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Product(s):
13-51200 5-METHYL-3-HEXEN-2-ONE

Robinson Brothers Limited

Providing Excellence in Chemistry
Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals.
Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation.
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Product(s):
KT0180 5-Methyl-3-hexen-2-one

TCI AMERICA

Moving Your Chemistry Forward
We continuously strive to advance our technology.
With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping!
Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
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GSC103608103593 GSC103608103593
Product(s):
M2366 5-Methyl-3-hexen-2-one (contains 5-Methyl-4-hexen-2-one)
SDS

Name:	5-methylhex-3-en-2-one
CAS Number:	5166-53-0	3D/inchi
ECHA EINECS - REACH Pre-Reg:	225-950-5
FDA UNII:	Search
Beilstein Number:	1720101
MDL:	MFCD00012166
CoE Number:	11149
XlogP3-AA:	1.50 (est)
Molecular Weight:	112.17184000
Formula:	C7 H12 O
NMR Predictor:	Predict (works with chrome, Edge 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
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	1132 5-methyl-3-hexen-2-one
DG SANTE Food Flavourings:	07.106 5-methylhex-3-en-2-one
FEMA Number:	3409 5-methyl-3-hexen-2-one
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	5166-53-0 ; 5-METHYL-3-HEXEN-2-ONE

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	99.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.83800 to 0.84300 @ 25.00 °C.
Pounds per Gallon - (est).:	6.973 to 7.015
Refractive Index:	1.43700 to 1.44100 @ 20.00 °C.
Boiling Point:	77.00 °C. @ 50.00 mm Hg
Vapor Pressure:	3.799000 mmHg @ 25.00 °C. (est)
Flash Point:	110.00 °F. TCC ( 43.33 °C. )
logP (o/w):	1.514 (est)
Soluble in:
	alcohol
	water, 3567 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: fruity

sweet berry cheesy

Odor Description:at 100.00 %. sweet berry cheese

Flavor Type: fruity

fruity berry

Taste Description: fruity berry

Odor and/or flavor descriptions from others (if found).

Bedoukian Research

5-METHYL-3-HEXEN-2-ONE

Odor Description:A berry-like odor with a cheese undertone
For a berry note in fruity fragrances.

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

5-Methyl-3-hexen-2-one

Endeavour Specialty Chemicals

5-Methyl-3-hexen-2-one

Speciality Chemical Product Groups

Nagar Haveli Perfumes & Aromatics

5-Methyl-3-hexen-2-one

Odor: Sweet berry cheese

Penta International

5-METHYL-3-HEXEN-2-ONE

Robinson Brothers

5-Methyl-3-hexen-2-one

https://www.robinsonbrothers.uk/chemistry-competences

Santa Cruz Biotechnology

For experimental / research use only.

5-Methyl-3-hexen-2-one

Sigma-Aldrich: Aldrich

For experimental / research use only.

5-Methyl-3-hexen-2-one technical grade, 75%

sds

TCI AMERICA

For experimental / research use only.

5-Methyl-3-hexen-2-one (contains 5-Methyl-4-hexen-2-one)

sds

Safety Information:

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable. R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately.

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 1680 ul/kg Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
Dermal Toxicity:
skin-rabbit LD50 450 ul/kg Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
Inhalation Toxicity:
inhalation-rat LCLo 500 ppm/4H Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for filbert hexenone usage levels up to:
	1.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		0.10 (μg/capita/day)
Structure Class:		II
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: 7
Click here to view publication 7
		average usual ppm	average maximum ppm
baked goods:		-	4.00000
beverages(nonalcoholic):		-	2.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	2.00000
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	2.00000
fruit ices:		-	2.00000
gelatins / puddings:		-	4.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	4.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	1.00000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	-
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):

Scientific Opinion on Flavouring Group Evaluation 204 (FGE.204): Consideration of genotoxicity data on representatives for 18 mono-unsaturated, aliphatic, a,�-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 204 Revision 1 (FGE.204Rev1): consideration of genotoxicity data on representatives for 17 monounsaturated, aliphatic, a,�-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19
View page or View pdf

EPI System: View

EPA Substance Registry Services (TSCA):5166-53-0

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :21244

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 1992

WGK Germany:3

5-methylhex-3-en-2-one

Chemidplus:0005166530

RTECS:MP8750000 for cas# 5166-53-0

References:

	5-methylhex-3-en-2-one
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	5166-53-0
Pubchem (cid):	21244
Pubchem (sid):	134985912
Pherobase:	View

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):	View
HMDB (The Human Metabolome Database):	HMDB31550
FooDB:	FDB008161
Export Tariff Code:	2909.19.6000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View