2-OCTYNOIC ACID
- CAS NO.：5663-96-7
- Empirical Formula: C8H12O2
- Molecular Weight: 140.18
- MDL number: MFCD00004364
- EINECS: 227-121-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 2-OCTYNOIC ACID?
Chemical properties
clear colorless to light yellow liquid
Definition
ChEBI: Octanoic acid (caprylic acid) which has been doubly dehydrogenated at positions 2 and 3 to give the corresponding alkynoic acid. It is widely used in perfumes, lipstick, and many common food flavourings.
Synthesis Reference(s)
Synthesis, p. 498, 1987 DOI: 10.1055/s-1987-27983
Properties of 2-OCTYNOIC ACID
| Melting point: | 2-5 °C(lit.) |
| Boiling point: | 148-149 °C19 mm Hg(lit.) |
| Density | 0.961 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point: | 214 °F |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 2.45±0.10(Predicted) |
| color | Yellow |
| CAS DataBase Reference | 5663-96-7(CAS DataBase Reference) |
Safety information for 2-OCTYNOIC ACID
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 2-OCTYNOIC ACID
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