Isopentyl formate
- Product NameIsopentyl formate
- CAS110-45-2
- CBNumberCB2172275
- MFC6H12O2
- MW116.16
- EINECS203-769-2
- MDL NumberMFCD00021049
- MOL File110-45-2.mol
Chemical Properties
| Melting point: | −93.5 °C (−136.3 °F; 179.7 K) |
| Boiling point: | 123.00 to 124.00 °C (253.40 to 255.20 °F; 396.15 to 397.15 K) |
| Density | 0.881−0.889 g/cm3 |
| vapor pressure | 10 mm Hg ( 17.1 °C) |
| FEMA | 2069 | ISOAMYL FORMATE |
| refractive index | 1.396−1.400 |
| Flash point: | 27 °C |
| form | liquid |
| color | Colorless |
| Odor | at 10.00 % in dipropylene glycol. plum black currant ethereal vinous dry earthy fruit green |
| Odor Type | green |
| biological source | synthetic |
| explosive limit | 8% |
| Merck | 14,5119 |
| JECFA Number | 42 |
| BRN | 1739893 |
| Henry's Law Constant | 1.2×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004) |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | XKYICAQFSCFURC-UHFFFAOYSA-N |
| SMILES | [H]C(=O)OCCC(C)C |
| LogP | 1.72 |
| CAS DataBase Reference | 110-45-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 1-Butanol, 3-methyl-, formate(110-45-2) |
| EPA Substance Registry System | 1-Butanol, 3-methyl-, formate (110-45-2) |
Safety
| Symbol(GHS) |
  GHS02,GHS07 |
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| Signal word | Danger | |||||||||
| Hazard statements | H315-H319-H335-H225 | |||||||||
| Precautionary statements | P501-P261-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P304+P340+P312-P403+P233-P403+P235-P405 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 10-36/37 | |||||||||
| Safety Statements | 24-2 | |||||||||
| RIDADR | UN 1109 (AMYL FORMATES) | |||||||||
| WGK Germany | 1 | |||||||||
| RTECS | NT0185000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 2915130000 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |
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| Toxicity | LD50 orally in rats: 9840 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964) | |||||||||
| NFPA 704: |
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