4-methyl nonanoic acid
 
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IUPAC name :4-methylnonanoic 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)
InChIKey :WQTZCQIRCYSUBQ-UHFFFAOYAT
SMILES :CCCCCC(C)CCC(=O)O
(EINECS) number :256-180-8
cas number :45019-28-1
fema number :3574
coe number :11925
jecfa number :274
fl. number :08.062
molar refractivity :49.90 ± 0.3 cm3
parachor :449.1 ± 4.0 cm3
index of refraction :1.441 ± 0.02
surface tension :32.1 ± 3.0 dyne/cm
density :0.913 ± 0.06 g/cm3
polarizability :19.78 ± 0.5 10-24cm3
xlogp : 4.10
molecular weight : 172.2646000
formula :C10 H20 O2
 
 
IUPAC name :(4R)-4-methylnonanoic 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)/t9-/m1/s1
InChIKey :WQTZCQIRCYSUBQ-SECBINFHBQ
SMILES :CCCCC[C@@H](C)CCC(=O)O
cas number :45019-28-1  (R)
molar refractivity :49.90 ± 0.3 cm3
parachor :449.1 ± 4.0 cm3
index of refraction :1.441 ± 0.02
surface tension :32.1 ± 3.0 dyne/cm
density :0.913 ± 0.06 g/cm3
polarizability :19.78 ± 0.5 10-24cm3
xlogp : 4.10
molecular weight : 172.2646000
formula :C10 H20 O2
 
 
IUPAC name :(4S)-4-methylnonanoic 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)/t9-/m0/s1
InChIKey :WQTZCQIRCYSUBQ-VIFPVBQEBN
SMILES :CCCCC[C@H](C)CCC(=O)O
cas number :45019-28-1  (S)
molar refractivity :49.90 ± 0.3 cm3
parachor :449.1 ± 4.0 cm3
index of refraction :1.441 ± 0.02
surface tension :32.1 ± 3.0 dyne/cm
density :0.913 ± 0.06 g/cm3
polarizability :19.78 ± 0.5 10-24cm3
xlogp : 4.10
molecular weight : 172.2646000
formula :C10 H20 O2
 
 
export tariff code :unspecified
fda reg :unspecified
 
Suppliers :
Oxford Chemicals Ltd :4-METHYLNONANOIC ACID
≥98.00%, NI, Kosher
Sigma-Aldrich-SAFC :4-Methylnonanoic acid
≥97%, Kosher
Treatt :4-Methylnonanoic acid
organoleptics :
odor type :meaty
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in propylene glycol.  		pork lamb chicken
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.90200 to 0.90900 @ 20.00 °C.
pounds per gallon - calc. : 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
logp : 3.78
safety :
most important hazard(s) : C - Corrosive.
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
recommendation for 4-methyl nonanoic acid usage levels up to :
 not for fragrance use.
safety references :
EPI System :view
 
 
 4-methylnonanoic acid
(EINECS) number :256-180-8
chemidplus :045019281
EPA Substance Registry Services :45019-28-1
NLM Chemical Carcinogenesis Research Information System :45019-28-1
NLM Developmental and Reproductive Toxicity :45019-28-1
NLM Env. Mutagen Info. Center :45019-28-1
NLM GENetic TOXicology :45019-28-1
 (4R)-4-methylnonanoic acid
 (4S)-4-methylnonanoic acid
references :
 4-methylnonanoic acid
jecfa number :274
fl. number :08.062
pubchem :198465
 (4R)-4-methylnonanoic acid
pubchem :43599199
 (4S)-4-methylnonanoic acid
pubchem :43599201
other :
synonyms :
4-methyl nonan-1-oic acid
4-methyl nonanoic acid
4-methyl pelargonic acid
4-methylnonanoic acid
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
4-acetyl-2-methyl pyrimidine
4-allyl-2,6-dimethoxyphenol
4-aminobutyric acid
 amyl mercaptan
 bacon dithiazine
 benzothiazole
1,2-butane dithiol
1,3-butane dithiol
2,3-butane dithiol
2-(2-butyl)-4,5-dimethyl-3-thiazoline
 butyraldehyde
 coffee difuran
 cyclopropyl (E,Z)-2,6-nonadienamide
(E,E)-2,4-decadien-1-al
2,5-diethyl thiazole
3,5-diethyl-2-methyl pyrazine
2,5-diethyl-3-methyl pyrazine
 difurfuryl sulfide
2,5-dihydroxy-1,4-dithiane
N-(2,4-dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide
2,5-dimethyl furan
 dimethyl tetrasulfide
2,6-dimethyl thiophenol
 dimethyl trisulfide
4,5-dimethyl-2-ethyl-3-thiazoline
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
2,6-dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
2,5-dimethyl-3-furan thiol
bis(2,5-dimethyl-3-furyl) disulfide
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuran
2,5-dimethyl-3-thiofuroyl furan
1,1-ethane dithiol 1% in ethanol
2-ethoxythiazole
 ethyl (E,Z)-2,6-nonadienamide
S-ethyl 2-acetyl aminoethane thioate
 ethyl 3-mercaptopropionate
 ethyl 4-(acetyl thio) butyrate
S-ethyl thioacetate
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
 furfuryl isopropyl sulfide
4-furfuryl thio-2-pentanone
N-(heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide
1,6-hexane dithiol
 hexyl mercaptan
 meaty dithiane
4-mercapto-2-pentanone 1% in acetoin
(R*,S*)-2-mercapto-3-butanol
2-mercapto-3-pentanone
2-mercaptomethyl pyrazine
2-mercaptopropionic acid
N1-(2-methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
N1-(2-methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide
 methyl 2-methyl-3-furyl disulfide
2-methyl 3-(methyl thio) furan 10% in triacetin
4-methyl 4-mercaptopentan-2-one 1% in pg
 methyl dihydrofuran thiol
2-methyl pyrazine
2-methyl thiazolidine
2-(methyl thio) ethanol
3-(methyl thio) propanol
12-methyl tridecanal
2-methyl-1-methyl thio-2-butene
3-methyl-2-butane thiol
2-methyl-3-,5 or 6-(furfuryl thio) pyrazine
2-methyl-3-(methyl thio) pyrazine
2-methyl-3-furyl tetrasulfide
bis(2-methyl-3-furyl) disulfide
S-(2-methyl-3-furyl) ethane thioate
3-((2-methyl-3-furyl)thio)-4-heptanone
4-((2-methyl-3-furyl)thio)-5-nonanone
2-methyl-3-tetrahydrofuran thiol
1,9-nonane dithiol
1,8-octane dithiol
 peanut dithiazine
4-penten-1-yl acetate
1-phenethyl mercaptan
1,3-propane dithiol
2-propionyl-2-thiazoline
 propyl 2-mercaptopropionate
 propyl 2-methyl-3-furyl disulfide
isopropyl disulfide
isopropyl mercaptan
 pyrazinyl ethane thiol
2-pyridinyl methane thiol
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
 roasted butanol
 sulfuryl acetate
3-tetrahydrothiophenone
 thialdine
3-thienyl mercaptan
1-(2-thienyl) butanone
ortho-thiocresol
 thioguaiacol
 tyramine
(odor and/or flavor) used in :
 cheese
 cheese ghee cheese
 meat
natural occurrence in :
lamb



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