Name | 4-methylvaleric acid |
Synonyms | 646-07-1 isohexoicacid Isocapronsαure Isohexoic acid ISOCAPROIC ACID 4-methylpentanoate isobutylaceticacid 4-Methylpentans?ure 4-methylvaleric acid 4-methyl-Valeric acid 4-Methylpentanoic acid 3-Methylenetanoic acid 4-methyl-n-valeric acid Pentanoic acid, 4-methyl- isohexanoicacid(mixedisomers) 4-Methylpentanoic acid Isohexanoic acid 4-Methylvaleric Acid (contains 3-Methylvaleric Acid) |
CAS | 646-07-1 |
EINECS | 211-464-0 |
InChI | InChI=1/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)/p-1 |
InChIKey | FGKJLKRYENPLQH-UHFFFAOYSA-N |
Molecular Formula | C6H12O2 |
Molar Mass | 116.16 |
Density | 0.923 g/mL at 25 °C (lit.) |
Melting Point | -35 °C |
Boling Point | 199-201 °C (lit.) |
Specific Rotation(α) | n20/D 1.414 (lit.) |
Flash Point | 207°F |
JECFA Number | 264 |
Water Solubility | INSOLUBLE |
Solubility | Slightly soluble in water, soluble in ethanol and ether. |
Vapor Presure | 0.131mmHg at 25°C |
Appearance | Liquid |
Specific Gravity | 0.923 |
Color | Clear colorless to slightly yellow |
BRN | 1741912 |
pKa | 4.84(at 18℃) |
Storage Condition | Store below +30°C. |
Stability | Stable. Incompatible with strong bases, strong oxidizing agents. |
Refractive Index | n20/D 1.414(lit.) |
MDL | MFCD00002803 |
Physical and Chemical Properties | Colorless to pale yellow liquid, sour and pungent. Boiling point 199~201 deg C. |
Risk Codes | R21 - Harmful in contact with skin R38 - Irritating to the skin R34 - Causes burns |
Safety Description | S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S25 - Avoid contact with eyes. |
UN IDs | UN 2810 6.1/PG 3 |
WGK Germany | 3 |
RTECS | NR2975000 |
FLUKA BRAND F CODES | 13 |
TSCA | T |
HS Code | 29159080 |
Hazard Class | 8 |
Packing Group | III |
Reference Show more | 1. [IF=2.63] Wan Mei-Yu et al."Comparative Study on Medicinal Natures (qi) of Black Ginseng, Red Ginseng, and Ginseng Leaves Based on Typical Deficiency-Heat Syndrome Rat Model."Evidence-based Complementary and Alternative Medicine. 2022;2022:5194987 |