4-Methylcaprylic acid

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Names

[ CAS No. ]:
54947-74-9

[ Name ]:
4-Methylcaprylic acid

[Synonym ]:
FEMA 3575
4-methyl-octanoicaci
4-Methyl-n-octanoic Acid
Octanoic acid,4-methyl
EINECS 259-404-2
4-MethyloCLanoic Acid
4-Methyl octanoic acid
MFCD00051938
rac-4-methyloctanoic acid
4-Methyloctanoic acid
4-Methylcaprylic acid
HIRCINOIC ACID
QV2Y4&1
METHYLOCTANSAEURE,4
FEMA NUMBER 3575
4-Methyl-octansaeure
Octanoic acid, 4-methyl-

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
253.4±8.0 °C at 760 mmHg

[ Molecular Formula ]:
C9H18O2

[ Molecular Weight ]:
158.238

[ Flash Point ]:
129.7±6.9 °C

[ Exact Mass ]:
158.130676

[ PSA ]:
37.30000

[ LogP ]:
3.25

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.439

[ Storage condition ]:
−20°C

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
UN 3265 8/PG 3

[ WGK Germany ]:
1

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2915900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • ethyl 4-methyl octanoate
  • 2-n-butyl-2-propen-1-ol
  • 2-methylidenehexanal
  • Hexanal
  • (2-methyl-hexyl)-malonic acid diethyl ester
  • 2-Methylhexan-1-ol
  • 2-​Methylhexanoic acid
  • 1-Bromo-2-methylhexane
  • Carbon dioxide

DownStream

  • 6-methyldecanoic acid
  • ethyl 4-methyl octanoate

Customs

[ HS Code ]: 2915900090

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Articles

Organoleptic Characteristics of Flavor Materials Mosciano, G.

Perfum. Flavor. 5th ed., 30 , 50, (2005)


More Articles

Related Compounds

  • 4-octanoyloxybenzenesulfonic acid
  • 4-methylbenzenesulfonic acid,3-thiophen-2-ylpropan-1-ol
  • 4-Tolylboronic acid
  • 4-methylbenzenesulfonic acid,(3-phenoxyphenyl)methanol
  • 4-methylbenzenesulfonic acid,2-methylmorpholine
  • 4-benzoyloxybutanoic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • 3-(1-propyl-1H-1,2,3-triazol-5-yl)butan-2-ol