N-AMYL NITRATE

DOT Classification:  3; Label: Flammable Liquid

The Amyl nitrate, with the CAS registry number 1002-16-0, is also known as Nitric acid, pentyl ester. Its EINECS registry number is 213-684-2. This chemical's molecular formula is C₅H₁₁NO₃ and molecular weight is 133.15. What's more, both its IUPAC name and systematic name are the same which is called Pentyl nitrate. It should be stored in a cool, dry and well-ventilated place. Amyl nitrate are employed as reagents in organic synthesis. It is used as an additive in diesel fuel, where it acts as an 'ignition improver' by accelerating the ignition of fuel.

Physical properties about Amyl nitrate are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 114.27; (6)ACD/BCF (pH 7.4): 114.27; (7)ACD/KOC (pH 5.5): 1034.39; (8)ACD/KOC (pH 7.4): 1034.39; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.42; (14)Molar Refractivity: 32.981 cm³; (15)Molar Volume: 130.21 cm³; (16)Polarizability: 13.075×10^-24cm³; (17)Surface Tension: 31.833 dyne/cm; (18)Density: 1.023 g/cm³; (19)Flash Point: 56.753 °C; (20)Enthalpy of Vaporization: 37.795 kJ/mol; (21)Boiling Point: 157.498 °C at 760 mmHg; (22)Vapour Pressure: 3.551 mmHg at 25 °C.

Preparation of Amyl nitrate: this chemical can be prepared by 1-nitrooxy-pentane. The research objective is Mechanism//Kinetics. This reaction needs solvent 1,2,3,4-tetrahydro-naphthalene at temperature of 154 °C. The yield is 98 %.

Uses of Amyl nitrate: it is used to produce other chemicals. For example, it can produce 1-nitrooxy-pentane. This reaction needs reagents KNO₃, BF₃*1.25H₂O solvent CH₂Cl₂ at ambient temperature. The reaction time is 2 hours. The yield is 75 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)OCCCCC
(2) InChI: InChI=1S/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3
(3) InChIKey: HSNWZBCBUUSSQD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LCLo	inhalation	1703ppm (1703ppm)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	AMA Archives of Industrial Health. Vol. 11, Pg. 290, 1955.
mouse	LCLo	inhalation	1807ppm/7H (1807ppm)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	AMA Archives of Industrial Health. Vol. 11, Pg. 290, 1955.
rabbit	LCLo	inhalation	1807ppm/7H (1807ppm)	LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	AMA Archives of Industrial Health. Vol. 11, Pg. 290, 1955.