Name | 4-methyloctanoic acid |
Synonyms | FEMA 3575 FEMA No. 3575 4-methyl-octanoicaci 4-Methylcaprylic acid 4-METHYLOCTANOIC ACID 4-methyloctanoic acid 4-METHYLCAPRYLIC ACID (4R)-4-methyloctanoate (4S)-4-methyloctanoate Octanoic acid, 4-methyl- |
CAS | 54947-74-9 |
EINECS | 259-404-2 |
InChI | InChI=1/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/p-1/t8-/m0/s1 |
InChIKey | LEGGANXCVQPIAI-UHFFFAOYSA-N |
Molecular Formula | C9H18O2 |
Molar Mass | 158.24 |
Density | 0.91g/mLat 25°C(lit.) |
Melting Point | -29.5°C (estimate) |
Boling Point | 149°C22mm Hg(lit.) |
Flash Point | >230°F |
JECFA Number | 271 |
Vapor Presure | 0.0057mmHg at 25°C |
Appearance | clear liquid |
Color | Colorless to Light yellow to Light orange |
BRN | 1755426 |
pKa | 4.78±0.10(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | n20/D 1.433(lit.) |
MDL | MFCD00051938 |
Risk Codes | R34 - Causes burns R36/37/38 - Irritating to eyes, respiratory system and skin. R21/22 - Harmful in contact with skin and if swallowed. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
UN IDs | UN 3265 8/PG 3 |
WGK Germany | 1 |
TSCA | Yes |
HS Code | 2915 90 70 |
Hazard Class | 8 |
Packing Group | III |
FEMA | 3575 | 4-METHYLOCTANOIC ACID |
NIST chemical information | Information provided by: webbook.nist.gov (external link) |
EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
toxicity | GRAS(FEMA). |
usage limit | FEMA(mg/kg): meat products, meat soup, gel products, pudding, soup, all 0.15; Sugar, icing, 0.5; Frozen dairy products, snack food, dairy products, cheese, 3.0. |
biological activity | 4-Methyl-n-octanoic Acid is a flavoring agent. |