5-methyl-3-heptanone
3-heptanone, 5-methyl-
 
Notes:
None found
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
      US Email: Customer Service
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      US Fax: (404) 577-1651
      Resources
      History
      Product(s):
      W1425 5-methyl-3-heptanone
       
  • Lluch Essence
    • Lluch Essence S.L.
      A family company dedicated to sales and distribution
      Flexibility, availability, price and quality.
      Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
      Email: Info
      Voice: 34 93 379 38 49
      Fax: 34 93 370 65 04
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      Product(s):
      5-METHYL 3-HEPTANONE
       
  • Moellhausen
    • Moellhausen S.P.A.
      THE CHEMISTRY OF EMOTIONS
      Innovation and commitment in the name of excellence.
      After 50 years in business, Moellhausen stands out as one of the world’s leading family-run companies in the industry of flavors and fragrances, raw materials, and specialties. My personal history is inextricably bound to that of the company, and I continue to dedicate all my energy to it along with our partners and collaborators who have supported us thus far with dedication, passion, love, and experience. Continuous investments and a professionalism aimed at achieving the highest levels of performance in service and quality, along with that same dedication, passion, love, and experience, have together enabled us to reach the absolute avant-garde level that characterizes Moellhausen today, recognized worldwide for its modernity, innovation, creativity, and respect for the environment and the safety and rights of those who work with us. As President and CEO of the company for 32 years, I offer a well-deserved thank you to all of our numerous customers, suppliers, employees, and company friends for helping to sustain our unstoppable and honorable growth. And it is with the support of all of our stakeholders that we will confidently continue to pursue our commitment to further advancing the excellence that our industry demands.
      Voice: +39 039.685.6262
      Fax: +39 039.685.6263
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      Sustainability is at the foundation of a
      Pervasive technology and total control
      Product(s):
      100819 5-METHYL HEPTAN-3-ONE
       
  • 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):
      13-49150 5-METHYL-3-HEPTANONE
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      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 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 27,000 products as well as custom synthesis. TCI established overseas facilities in North America, Europe, China and India to serve customers worldwide.
      Email: Sales
      US Email: Sales
      Email: Global Business
      Voice: +81-3-5640-8878
      Fax: +81-3-5640-8902
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      Tokyo Fax:03-5640-8865
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      Product(s):
      M0335 5-Methyl-3-heptanone >95.0%(GC)
       
Synonyms   Articles   Notes   Search
5-methylheptan-3-one (Click)
CAS Number: 541-85-5Picture of molecule
ECHA EINECS - REACH Pre-Reg: 208-793-7
FDA UNII: 9RQ13D247K
Nikkaji Web: J2.642E
Beilstein Number: 0506345
MDL: MFCD00009340
XlogP3-AA: 2.20 (est)
Molecular Weight: 128.21472000
Formula: C8 H16 O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
(5R)-5-methylheptan-3-one (Click)
CAS Number: 541-85-5  (R)Picture of molecule
FDA UNII: R1B57M585J
Nikkaji Web: J56.325K
XlogP3-AA: 2.20 (est)
Molecular Weight: 128.21472000
Formula: C8 H16 O
NMR Predictor: Predict (works with chrome or firefox)
(5S)-5-methylheptan-3-one (Click)
CAS Number: 541-85-5  (S)Picture of molecule
FDA UNII: Q4YD7AE57C
Nikkaji Web: J56.324B
XlogP3-AA: 2.20 (est)
Molecular Weight: 128.21472000
Formula: C8 H16 O
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate.
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
Flavis Number: 07.182 (Old)
DG SANTE Food Flavourings: 07.182  5-methylheptan-3-one
Synonyms   Articles   Notes   Search   Top
Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.81600 to 0.82400 @  25.00 °C.
Pounds per Gallon - (est).: 6.790 to  6.857
Refractive Index: 1.41800 to 1.42400 @  20.00 °C.
Boiling Point: 158.00 °C. @ 760.00 mm Hg
Vapor Pressure: 2.444000 mm/Hg @ 25.00 °C. (est)
Flash Point: 111.00 °F. TCC ( 43.89 °C. )
logP (o/w): 2.350 (est)
Soluble in:
 alcohol
 water, 1371 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 herbal  sweet  oily  
Odor Description:
at 100.00 %. 
herbal sweet oily
 fruity  citrus  
Taste Description:
fruity citrus
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
CTC Organics
5-methyl-3-heptanone
EMD Millipore
For experimental / research use only.
5-Methyl-3-heptanone
ExtraSynthese
For experimental / research use only.
5-Methyl-3-heptanone (GC) ≥98%
Lluch Essence
5-METHYL 3-HEPTANONE
Moellhausen
5-METHYL HEPTAN-3-ONE
Odor: fresh, fruity, somewhat burnt
Flavor: fresh, somewhat fruity and citrusy
Penta International
5-METHYL-3-HEPTANONE
Santa Cruz Biotechnology
For experimental / research use only.
5-Methyl-3-heptanone
Sigma-Aldrich: Aldrich
For experimental / research use only.
5-Methyl-3-heptanone ≥94% (GC)
TCI AMERICA
For experimental / research use only.
5-Methyl-3-heptanone >95.0%(GC)
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37 - Irritating to eyes and respiratory system.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 37/39 - Wear suitable 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:
oral-rat LD50  3500 mg/kg
(Kennedy & Graepel, 1991)

oral-mouse LD50  3800 mg/kg
(Kennedy & Graepel, 1991)

oral-guinea pig LD50  2500 mg/kg
(Kennedy & Graepel, 1991)

oral-guinea pig LD50  2500 mg/kg
Biochemical Pharmacology. Vol. 16, Pg. 631, 1967.

oral-mouse LD50  3800 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.

oral-rat LD50  3500 mg/kg
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.

Dermal Toxicity:
skin-rabbit LD50 > 16000 mg/kg
Shell Chemical Company. Vol. MSDS

skin-rabbit LD50 > 16000 mg/kg
Shell Chemical Company. Vol. MSDS

Inhalation Toxicity:
inhalation-mouse LCLo 3484 ppm/4H
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.

inhalation-rat LCLo 3484 ppm/8H
Shell Chemical Company. Unpublished Report. Vol. -, Pg. 6, 1961.

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Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.32 (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
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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):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): 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 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
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
NIOSH International Chemical Safety Cards: search
NIOSH Pocket Guide: search
EPA Substance Registry Services (TSCA): 541-85-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7822
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 2271
WGK Germany: 1
 5-methylheptan-3-one
Chemidplus: 0000541855
RTECS: 541-85-5
 (5R)-5-methylheptan-3-one
 (5S)-5-methylheptan-3-one
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References:
 5-methylheptan-3-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 541-85-5
Pubchem (cid): 7822
Pubchem (sid): 134976138
 (5R)-5-methylheptan-3-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 541-85-5
Pubchem (cid): 6566014
Pubchem (sid): 43216244
 (5S)-5-methylheptan-3-one
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 541-85-5
Pubchem (cid): 1715061
Pubchem (sid): 40891518
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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
HMDB (The Human Metabolome Database): Search
FooDB: FDB006154
Export Tariff Code: 2914.19.0000
Haz-Map: View
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
anisic
anisic
 amyl furoateFL/FR
balsamic
 benzophenoneFL/FR
burnt
 lepidineFL/FR
caramellic
 maltolFL/FR
citrus
 litsea cubeba oil terpenelessFL/FR
(E,Z,Z)-2,4,7-tridecatrienalFL/FR
floral
alpha-amyl cinnamaldehydeFL/FR
 boronia absoluteFL/FR
 citronellolFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 dihydroisojasmonate methyl esterFR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 herbal pyranFR
 hexahydrofarnesyl acetoneFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 linalyl butyrateFL/FR
 linalyl propionateFL/FR
 methyl dihydrojasmonateFL/FR
 nerolidolFL/FR
(E)-nerolidolFL/FR
 nonyl nonanoate 
fruity
isoamyl nonanoateFL/FR
isobutyl 2-methyl butyrateFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
 dodecyl isobutyrateFL/FR
(R)-(-)-2-heptanolFL/FR
 heptyl isobutyrateFL/FR
 hexyl valerateFL/FR
 octyl octanoateFL/FR
green
 cognac heptanoneFL/FR
(Z)-3-hexen-1-olFL/FR
 hexyl tiglateFL/FR
3-phenyl propionaldehydeFL/FR
isopropyl decanoateFL/FR
(E,E)-sorbyl acetateFL/FR
herbal
alpha-amyl cinnamyl formateFL/FR
musk
 musk nonaneFR
oily
 petal pyranoneFL/FR
 myrceneFL/FR
woody
 woody acetateFR
 
For Flavor
 
No flavor group found for these
alpha-amyl cinnamyl formateFL/FR
 amyl furoateFL/FR
 dodecyl isobutyrateFL/FR
(R)-(-)-2-heptanolFL/FR
 hexahydrofarnesyl acetoneFL/FR
 hexyl valerateFL/FR
5-methyl hexanoic acidFL
 nonyl nonanoate 
 octyl octanoateFL/FR
3-pentanolFL
 petal pyranoneFL/FR
isopropyl decanoateFL/FR
berry
 heptyl isobutyrateFL/FR
bitter
(E,Z,Z)-2,4,7-tridecatrienalFL/FR
caramellic
 maltolFL/FR
citrus
 cognac heptanoneFL/FR
floral
 citronellolFL/FR
 citronellyl propionateFL/FR
 geranyl isobutyrateFL/FR
 lepidineFL/FR
 linalyl butyrateFL/FR
 methyl dihydrojasmonateFL/FR
fruity
 boronia absoluteFL/FR
isobutyl 2-methyl butyrateFL/FR
(E)-2-decenoic acidFL
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
geranium
 benzophenoneFL/FR
green
2-ethyl-5-methyl thiopheneFL
 geranyl formateFL/FR
(Z)-3-hexen-1-olFL/FR
 hexyl tiglateFL/FR
(E)-nerolidolFL/FR
 nerolidolFL/FR
3-phenyl propionaldehydeFL/FR
(E,E)-sorbyl acetateFL/FR
 sorbyl acetateFL
herbal
 linalyl propionateFL/FR
leafy
(E)-citronellyl tiglateFL/FR
lemon
 litsea cubeba oil terpenelessFL/FR
spicy
 cumin oleoresinFL
tropical
alpha-amyl cinnamaldehydeFL/FR
 malibu moment flavorFL
waxy
alpha-hexyl cinnamaldehydeFL/FR
winey
isoamyl nonanoateFL/FR
woody
 myrceneFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 cardamom fruit
Search Trop  Picture
 cardamom seed
Search Trop  Picture
 lavandin oil grosso @ 0.14%
Data  GC  Search Trop  Picture
 lemon leaf oil
Search Trop  Picture
 lemongrass oil - 14,300 mg/kg
Search  Picture
 papaya fruit - 0.02 mg/kg
Search Trop  Picture
 pennyroyal oil @ 0.50%
Data  GC  Search Trop  Picture
 peppermint leaf
Search Trop  Picture
 peppermint oil
Search Trop  Picture
 petitgrain lemon oil
Search Trop  Picture
 tomato
Search  Picture
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Synonyms:
sec-amyl ethyl ketone
 ethyl 2-methyl butyl ketone
 ethyl 2-methylbutyl ketone
 ethyl sec-amyl ketone
 ethyl sec-amylketone
3-heptanone, 5-methyl-
 ketone, ethyl 2-methylbutyl
2-methyl butyl ethyl ketone
5-methyl heptan-3-one
 methyl heptanone
5-methyl-3-heptanone
3-methyl-5-heptanone
5-methyl-heptan-3-one
2-methylbutyl ethyl ketone
5-methylheptan-3-one
 methylheptanone
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