Key Spec Table
| CAS # | EC Number | Hill Formula | Molar Mass | Grade Value |
|---|
| 110-44-1 | 203-768-7 | C₆H₈O₂ | 112.13 g/mol | Ph Eur,BP,ChP,NF,FCC,E 200 |
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| Description |
|---|
| Catalogue Number | 100662 |
| Synonyms | 2,4-Hexadienic acid |
| Product Information |
|---|
| CAS number | 110-44-1 |
| EC number | 203-768-7 |
| Grade | Ph Eur,BP,ChP,NF,FCC,E 200 |
| Hill Formula | C₆H₈O₂ |
| Molar Mass | 112.13 g/mol |
| HS Code | 2916 19 90 |
| Structure formula Image |
| Quality Level | MQ500 |
| Physicochemical Information |
|---|
| Boiling point | 160 - 260 °C (1013 hPa) (decomposition) |
| Density | 1.2 g/cm3 (20 °C) |
| Flash point | 127 °C |
| Ignition temperature | >130 °C |
| Melting Point | 135 - 137 °C |
| pH value | 3.3 (1.6 g/l, H₂O, 20 °C) |
| Vapor pressure | 0.01 hPa (20 °C) |
| Bulk density | 650 kg/m3 |
| Solubility | 1.6 g/l |
| Toxicological Information |
|---|
| LD 50 oral | LD50 Rat 7360 mg/kg |
| LD 50 dermal | LD50 Rat > 2000 mg/kg |
| Safety Information according to GHS |
|---|
| Hazard Pictogram(s) | |
| Hazard Statement(s) | H315: Causes skin irritation.H319: Causes serious eye irritation. |
| Precautionary Statement(s) | P264: Wash skin thoroughly after handling.P280: Wear protective gloves/ eye protection/ face protection.P302 + P352: IF ON SKIN: Wash with plenty of water.P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313: If skin irritation occurs: Get medical advice/ attention.P337 + P313: If eye irritation persists: Get medical advice/ attention. |
| Signal Word | Warning |
| Storage class | 10 - 13 Other liquids and solids |
| WGK | WGK 1 slightly hazardous to water |
| Disposal | 3Relatively unreactive organic reagents should be collected in container A. If halogenated, they should be collected in container B. For solid residues use container C. |
| Safety Information |
|---|
| Categories of danger | irritant |
| Storage and Shipping Information |
|---|
| Storage | Store at +15°C to +25°C. |
| Transport Information |
|---|
| Declaration (railroad and road) ADR, RID | Kein Gefahrgut |
| Declaration (transport by air) IATA-DGR | No Dangerous Good |
| Declaration (transport by sea) IMDG-Code | No Dangerous Good |
| Specifications |
|---|
| Assay (acidimetric, calc. on anhydrous substance) | 99.0 - 101.0 % |
| Assay (HPLC, calc. on anhydrous substance) | 98.0 - 102.0 % |
| Identity (IR) | passes test |
| Identity (wet chemistry) | passes test |
| Identity (Melting point) | passes test |
| Identity (Melting range) | passes test |
| Identity (UV/VIS-Spectroscopy) | passes test |
| Identity (UV/VIS-Spectroscopy) (ChP) | passes test |
| Appearance of solution (5 %; ethanol 96 %) | passes test |
| Clarity and color of solution (ChP) | passes test |
| Melting point | 132 - 136 °C |
| Melting range (lower value) | ≥ 133 °C |
| Melting range (upper value) | ≤ 135 °C |
| Heavy metals (as Pb) | ≤ 0.001 % |
| As (Arsenic) | ≤ 0.0003 % |
| Cd (Cadmium) | ≤ 0.001 % |
| Cu (Copper) | ≤ 0.001 % |
| Hg (Mercury) | ≤ 0.0001 % |
| Pb (Lead) | ≤ 0.0002 % |
| Zn (Zinc) | ≤ 0.001 % |
| Aldehydes (as Acetaldehyd) | ≤ 0.15 % |
| Acetone | ≤ 5000 ppm |
| Other residual solvents (ICH Q3C) | excluded by the manufacturing process |
| Thermal stability (105 °C) | No coloration |
| Water | ≤ 0.5 % |
| Sulfated ash | ≤ 0.1 % |
| Elemental impurity specifications have been set considering ICH Q3D (Guideline for Elemental Impurities). Class 1-3 elements are not likely to be present above the ICH Q3D option 1 limit, unless specified and indicated (*).Conforms to the purity criteria on food additives according to the current European Commission Regulation. |
| Corresponds to Ph Eur, BP, ChP, NF, FCC, E 200 |
