Reported in EPA TSCA Inventory.

The Pentyl nitrite with CAS registry number of 463-04-7 is also known as Nitrousacid, pentyl ester. The IUPAC name and product name are the same. Its EINECS registry number is 207-332-7. In addition, the formula is C₅H₁₁NO₂ and the molecular weight is 117.15. This chemical is a colorless to yellowish liquid and should be sealed in ventilated and dry place away from oxidants.

Physical properties about Pentyl nitrite are: (1)ACD/LogP: 2.64; (2)ACD/LogD (pH 5.5): 2.64; (3)ACD/LogD (pH 7.4): 2.64; (4)ACD/BCF (pH 5.5): 59.34; (5)ACD/BCF (pH 7.4): 59.34; (6)ACD/KOC (pH 5.5): 647.07; (7)ACD/KOC (pH 7.4): 647.07; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.424; (11)Molar Refractivity: 30.69 cm³; (12)Molar Volume: 120.2 cm³; (13)Surface Tension: 31.2 dyne/cm; (14)Density: 0.97 g/cm³; (15)Flash Point: 8.9 °C; (16)Enthalpy of Vaporization: 32.98 kJ/mol; (17)Boiling Point: 105.1 °C at 760 mmHg; (18)Vapour Pressure: 34.9 mmHg at 25 °C.

Preparation of Pentyl nitrite: it is prepared by reaction of pentanol and sodium nitrite. The reaction needs solvent hydrochloric acid and the product is obtained by washing, drying and vacuum distillation.

Uses of Pentyl nitrite: it is used to produce pentanal. The reaction occurs with reagent BF₃*Et₂O and solvent diethyl ether with ambient temperature for 4 hours. The yield is about 91%.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful by inhalation and if swallowed. During using it, keep away from sources of ignition as this chemical is highly flammable. Avoid contact with skin. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCCON=O
2. InChI: InChI=1S/C5H11NO2/c1-2-3-4-5-8-6-7/h2-5H2,1H3
3. InChIKey: CSDTZUBPSYWZDX-UHFFFAOYSA-N

The toxicity data is as follows: