CAS No.626-89-1,1-Pentanol, 4-methyl- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	626-89-1
Name:	1-Pentanol, 4-methyl-
Article Data:	47

Formula:	C₆H₁₄O
Molecular Weight:	102.177
Synonyms:	Isohexyl alcohol(6CI,7CI,8CI);2-Methyl-5-pentanol;4-Methyl-1-pentanol;Anglamol 6085U;Isohexanol;NSC 91492;iso-Hexanol;
EINECS:	210-969-3
Density:	0.814 g/cm³
Melting Point:	-48.42°C (estimate)
Boiling Point:	151.6 °C at 760 mmHg
Flash Point:	51.7 °C
Solubility:	10.42g/L(20 oC)
Appearance:	colorless clear liquid
Hazard Symbols:	Xi
Risk Codes:	10-37
Safety:	24/25-16
PSA:	20.23000
LogP:	1.41490

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Specification

The 4-Methyl-1-pentanol is an organic compound with the formula C₆H₁₄O. The systematic name of this chemical is 4-methylpentan-1-ol. With the CAS registry number 626-89-1, it is also named as 1-pentanol, 4-methyl-. The product's categories are Alcohols; C2 to C6; Oxygen Compounds. Besides, it is clear colorless liquid, which should be stored in a closed cool and dry place.

Physical properties about 4-Methyl-1-pentanol are: (1)ACD/LogP: 1.75; (2)ACD/LogD (pH 5.5): 1.75; (3)ACD/LogD (pH 7.4): 1.75; (4)ACD/BCF (pH 5.5): 12.68; (5)ACD/BCF (pH 7.4): 12.68; (6)ACD/KOC (pH 5.5): 214.36; (7)ACD/KOC (pH 7.4): 214.36; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.413; (13)Molar Refractivity: 31.33 cm³; (14)Molar Volume: 125.4 cm³; (15)Polarizability: 12.42×10^-24cm³; (16)Surface Tension: 26.6 dyne/cm; (17)Density: 0.814 g/cm³; (18)Flash Point: 51.7 °C; (19)Enthalpy of Vaporization: 44.46 kJ/mol; (20)Boiling Point: 151.6 °C at 760 mmHg; (21)Vapour Pressure: 1.37 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methyl-pentanoic acid. This reaction will need reagent lithium alanate, diethyl ether.

Uses of 4-Methyl-1-pentanol: it can be used to produce 4-methyl-pentanoic acid. It will need reagent alkali, potassium permanganate solution.

When you are using this chemical, please be cautious about it as the following:
It is flammable. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to to respiratory system. When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCC(C)C
(2)InChI: InChI=1/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
(3)InChIKey: PCWGTDULNUVNBN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
(5)Std. InChIKey: PCWGTDULNUVNBN-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	170mg/kg (170mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.