sec-Octanol (9CI) supplier | CasNO.25339-16-6

Name
sec-Octanol (9CI)
EINECS
CAS No. 25339-16-6
Density 0.821 g/cm³
Solubility
Melting Point
Formula C₈H₁₈O
Boiling Point 177.9 °C at 760 mmHg
Molecular Weight 130.2279
Flash Point 71.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms sec-Octylalcohol (6CI,7CI,8CI);Secondary octyl alcohol;
PSA
LogP

sec-Octanol (9CI) Specification

The sec-Octanol (9CI) is an organic compound with the formula C₈H₁₈O. The IUPAC name of this chemical is octan-2-ol. With the CAS registry number 25339-16-6, it is also named as Methyl heptanol.

Physical properties about sec-Octanol (9CI) are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 81.41; (5)ACD/BCF (pH 7.4): 81.41; (6)ACD/KOC (pH 5.5): 811.45; (7)ACD/KOC (pH 7.4): 811.45; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.426; (13)Molar Refractivity: 40.6 cm³; (14)Molar Volume: 158.4 cm³; (15)Polarizability: 16.09×10^-24cm³; (16)Surface Tension: 28 dyne/cm; (17)Density: 0.821 g/cm³; (18)Flash Point: 71.1 °C; (19)Enthalpy of Vaporization: 48.22 kJ/mol; (20)Boiling Point: 177.9 °C at 760 mmHg; (21)Vapour Pressure: 0.306 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)CCCCCC
(2)InChI: InChI=1/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
(3)InChIKey: SJWFXCIHNDVPSH-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
(5)Std. InChIKey: SJWFXCIHNDVPSH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	66mg/kg (66mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
mouse	LD50	oral	12400mg/kg (12400mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 95, 1982.

Product Name

sec-Octanol (9CI)

sec-Octanol (9CI) Specification

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