4-methyl nonanoic acid-Spice database

2D:
3D:
CAS Number:	45019-28-1
ECHA EC Number:	256-180-8
FDA UNII:	5BKU622F1K
CoE Number:	11925
Category:	flavor and fragrance agents
IUPAC Name:	4-methyl nonanoic acid
InChI :	InChI=1/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
Std.InChI:	InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKey :	WQTZCQIRCYSUBQ-UHFFFAOYAT
Std.InChIKey:	WQTZCQIRCYSUBQ-UHFFFAOYSA-N
SMILES :	CCCCCC(C)CCC(=O)O
MDL:	MFCD00051789
Molar Refractivity :	49.90 ± 0.3 cm3 (est)
Parachor :	449.1 ± 4.0 cm3 (est)
Index of Refraction :	1.441 ± 0.02 (est)
Surface Tension :	32.1 ± 3.0 dyne/cm (est)
Density :	0.913 ± 0.06 g/cm3 (est)
Polarizability :	19.78 ± 0.5 10-24cm3 (est)

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:	274 4-methylnonanoic acid
DG SANTE Food Flavourings:	08.062 4-methylnonanoic acid
FEMA Number:	3574 4-methylnonanoic acid
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	45019-28-1 ; 4-METHYLNONANOIC ACID

Physical Properties:

Appearance:	colorless to pale yellow clear liquid (est)
Assay:	97.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.90200 to 0.90900 @ 20.00 °C.
Pounds per Gallon - (est).:	7.514 to 7.573
Refractive Index:	1.43500 to 1.44000 @ 20.00 °C.
Boiling Point:	292.00 to 293.00 °C. @ 760.00 mm Hg
Boiling Point:	125.00 to 127.00 °C. @ 2.50 mm Hg
Vapor Pressure:	0.002000 mmHg @ 25.00 °C. (est)
Vapor Density:	5.9 ( Air = 1 )
Flash Point:	> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w):	3.598 (est)
Soluble in:
	alcohol
	water, 64.05 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

meaty pork lamb chicken fatty goaty

Cosmetic Information:

None found

Suppliers:

Aromiens International

4-Methyl Nonanoic Acid Natural

Beijing Lys Chemicals

4-Methyl nonanoic acid

BOC Sciences

For experimental / research use only.

4-Methylnonanoic Acid

Charkit Chemical

METHYLNONANOIC ACID, 4- M1875 FEMA 3574

Endeavour Specialty Chemicals

4-Methylnonanoic acid 98% F&F

Speciality Chemical Product Groups

Frutarom

4-METHYLNONANOIC ACID

KOSHER

Flavor: Meaty, Fatty, Pork, Chicken

CBD Offering

IFF

4-METHYLNONANOIC ACID

KOSHER

Flavor: Meaty, Fatty, Pork, Chicken

Jinan Enlighten Chemical Technology(Wutong Aroma )

4-Methyl nonanoic acid, Kosherk

Penta International

4-METHYLNONANOIC ACID

R C Treatt & Co Ltd

4-Methylnonanoic acid

Halal, Kosher

Odor: Fatty, musty, sweaty sour "goaty" notes

Flavor: fatty

4-Methylnonanoic acid (and 4-methyloctanoic acid [FEMA# 3575]) are major contributors to the so-called "soo" odour (a Chinese term) of mutton, which is an unpleasant fatty-goaty type note. Used in cooked lamb/mutton flavours for bakery and snack foods at 10ppm, meat and dairy products at 5ppm, and in soups and gravies at 2.5ppm.Normal use levels in finished consumer product: up to 10 ppm.

Robinson Brothers

4-Methylnonanoic acid F&F

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

Sigma-Aldrich

4-Methylnonanoic acid, ≥97%, FG

sds

Odor: meaty

Certified Food Grade Products

Synerzine

4-Methyl Nonanoic Acid

Taytonn ASCC

4-Methylnonanoic Acid

Odor: Fatty, Meaty

TCI AMERICA

For experimental / research use only.

4-Methylnonanoic Acid >97.0%(GC)(T)

sds

Tengzhou Xiang Yuan Aroma Chemicals

4-Methyl Nonanoic Acid

Tianjin Danjun International

4-Methyl nonanoic acid

WholeChem

4-Methyl nonanoic acid

Safety Information:

Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 43 - May cause sensitisation by skin contact. R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment. 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 36/37/39 - 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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

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

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: 11
Click here to view publication 11
	average usual ppm	average maximum ppm
baked goods:	-	10.00000
beverages(nonalcoholic):	-	-
beverages(alcoholic):	-	-
breakfast cereal:	-	-
cheese:	-	-
chewing gum:	-	-
condiments / relishes:	-	-
confectionery froastings:	-	-
egg products:	-	-
fats / oils:	-	-
fish products:	-	-
frozen dairy:	-	-
fruit ices:	-	-
gelatins / puddings:	-	-
granulated sugar:	-	-
gravies:	-	2.50000
hard candy:	-	-
imitation dairy:	-	5.00000
instant coffee / tea:	-	-
jams / jellies:	-	-
meat products:	-	5.00000
milk products:	-	5.00000
nut products:	-	-
other grains:	-	-
poultry:	-	-
processed fruits:	-	-
processed vegetables:	-	-
reconstituted vegetables:	-	-
seasonings / flavors:	-	-
snack foods:	-	10.00000
soft candy:	-	-
soups:	-	2.50000
sugar substitutes:	-	-
sweet sauces:	-	-

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):45019-28-1

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :62003

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 3265

WGK Germany:2

4-methylnonanoic acid

Chemidplus:0045019281

References:

Leffingwell:	Chirality or Article
	4-methylnonanoic acid
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	45019-28-1
Pubchem (cid):	62003
Pubchem (sid):	135019967

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):	HMDB34849
FooDB:	FDB013415
Export Tariff Code:	2915.90.1800
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components :

For Odor

alliaceous

dimethyl trisulfide
FL/FR

coffee

coffee difuran
FL/FR

2-

methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR

fatty

hexanoic acid
FL/FR

meaty

meaty dithiane
FL/FR

sulfuryl acetate
FL/FR

nutty

4,5-

dimethyl-2-ethyl-3-thiazoline
FL/FR

2-

methyl pyrazine
FL/FR

2-

methyl-3-(methyl thio) pyrazine
FL/FR

spicy

cumin oil replacer
FR

cumin seed oil
FL/FR

sulfurous

benzothiazole
FL/FR

ethyl 3-mercaptopropionate
FL/FR

2-

mercaptopropionic acid
FL/FR

4-

methyl 4-mercaptopentan-2-one 1% solution
FL/FR

1-

phenethyl mercaptan
FL/FR

For Flavor

No flavor group found for these

4-

acetyl-2-methyl pyrimidine
FL

gamma-

aminobutyric acid
FL

amyl mercaptan
FL

benzyl methyl sulfide
FL

1,2-

butane dithiol
FL

2-(2-

butyl)-4,5-dimethyl-3-thiazoline
FL

cyclopropyl (E,Z)-2,6-nonadienamide
FL

2,5-

diethyl thiazole
FL

dimethyl tetrasulfide
FL

2,6-

dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL

bis(2,5-

dimethyl-3-furyl) disulfide
FL

(Z+E)-2,5-

dimethyl-3-tetrahydrofuran thiol
FL

(Z+E)-2,5-

dimethyl-3-thioacetoxytetrahydrofuran
FL

2,5-

dimethyl-3-thiofuroyl furan
FL

ethyl (E,Z)-2,6-nonadienamide
FL

S-

ethyl 2-acetyl aminoethane thioate
FL

ethyl 3-mercaptopropionate
FL/FR

ethyl 4-(acetyl thio) butyrate
FL

(Z+E)-5-

ethyl-4-methyl-2-(2-butyl) thiazoline
FL

(Z+E)-5-

ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL

4-

methyl 4-mercaptopentan-2-one 1% solution
FL/FR

methyl dihydrofuran thiol
FL

2-

methyl thiazolidine
FL

2-(

methyl thio) ethanol
FL

2-

methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR

2-

methyl-3-(methyl thio) pyrazine
FL/FR

2-

methyl-3-furyl tetrasulfide
FL

3-((2-

methyl-3-furyl)thio)-4-heptanone
FL

4-((2-

methyl-3-furyl)thio)-5-nonanone
FL

1,9-

nonane dithiol
FL

peanut dithiazine
FL

1-

phenethyl mercaptan
FL/FR

1,3-

propane dithiol
FL

iso

propyl disulfide
FL

3-

thienyl mercaptan
FL

N-(2-(3,4-

dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
FL

3,7-

dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL

4-

mercapto-2-pentanone 1% in acetoin
FL

2-

methyl-1-methyl thio-2-butene
FL

pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL

1-(2-

thienyl) butanone
FL

alliaceous

1,3-

butane dithiol
FL

dimethyl trisulfide
FL/FR

3-

tetrahydrothiophenone
FL

burnt

bacon dithiazine
FL

1,6-

hexane dithiol
FL

cheesy

hexanoic acid
FL/FR

chemical

2,5-

dimethyl furan
FL

cocoa

butyraldehyde
FL

coffee

coffee difuran
FL/FR

earthy

difurfuryl sulfide
FL

1,8-

octane dithiol
FL

eggy

iso

propyl mercaptan
FL

fatty

(E,E)-2,4-

decadienal
FL

green

4-

penten-1-yl acetate
FL

meaty

4-

allyl-2,6-dimethoxyphenol
FL

benzothiazole
FL/FR

2,6-

dimethyl thiophenol
FL

2,5-

dimethyl-3-furan thiol
FL

1,1-

ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL

4-

furfuryl thio-2-pentanone
FL

meaty dithiane
FL/FR

(R,S)-2-

mercapto-3-butanol
FL

2-

mercaptomethyl pyrazine
FL

2-

mercaptopropionic acid
FL/FR

2-

methyl 3-(methyl thio) furan
FL

12-

methyl tridecanal
FL

bis(2-

methyl-3-furyl) disulfide
FL

S-(2-

methyl-3-furyl) ethane thioate
FL

2-

methyl-3-tetrahydrofuran thiol
FL

propyl 2-mercaptopropionate
FL

propyl 2-methyl-3-furyl disulfide
FL

pyrazinyl ethane thiol
FL

2-

pyridinyl methane thiol
FL

sulfuryl acetate
FL/FR

thialdine
FL

ortho-

thiocresol
FL

ortho-

thioguaiacol
FL

metallic

2,5-

dihydroxy-1,4-dithiane
FL

musty

2-

ethoxythiazole
FL

nutty

3,5-

diethyl-2-methyl pyrazine
FL

2,5-

diethyl-3-methyl pyrazine
FL

4,5-

dimethyl-2-ethyl-3-thiazoline
FL/FR

2-

methyl pyrazine
FL/FR

onion

furfuryl isopropyl sulfide
FL

methionol
FL

popcorn

2-

propionyl-2-thiazoline
FL

radish

3-(

methyl thio) propyl mercaptoacetate
FL

roasted

hexyl mercaptan
FL

savory

N-(2,4-

dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL

N-(

heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
FL

N1-(2-

methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
FL

N1-(2-

methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
FL

spicy

cumin seed oil
FL/FR

sulfurous

2,3-

butane dithiol
FL

S-

ethyl thioacetate
FL

methyl 2-methyl-3-furyl disulfide
FL

3-

methyl-2-butane thiol
FL

roasted butanol
FL

vegetable

tyramine
FL

Potential Uses:

FL	bakery
FL	cheese
FL	dairy
	gravy
FL	lamb
FL	meat
FL	soup

Occurrence (nature, food, other):

lamb
Search PMC Picture

Synonyms:

iso	decanoic acid
4-	methyl nonan-1-oic acid
4-	methyl pelargonic acid
4-	methylnonan-1-oic acid
4-	methylnonanoic acid
4-	methylnonanoicacid
4-	methylpelargonic acid
	nonanoic acid, 4-methyl-

Articles:

PubMed:Profile of volatile organic compounds in exhaled breath changes as a result of gluten-free diet.

PubMed:A novel method for determination and quantification of 4-methyloctanoic and 4-methylnonanoic acids in mutton by hollow fiber supported liquid membrane extraction coupled with gas chromatography.

PubMed:Fat-borne volatiles and sheepmeat odour.

PubMed:Physicochemical and sensory characteristics of fermented sheepmeat sausage.

PubMed:Direct determination of flavor relevant and further branched-chain fatty acids from sheep subcutaneous adipose tissue by gas chromatography with mass spectrometry.

PubMed:A novel method for determination and quantification of 4-methyloctanoic and 4-methylnonanoic acids in mutton by hollow fiber supported liquid membrane extraction coupled with gas chromatography.