CAS No.26952-21-6,Isooctyl Alcohol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	26952-21-6
Name:	Isooctyl Alcohol

Formula:	C₈H₁₈O
Molecular Weight:	130.26
Synonyms:	Isooctylalcohol (6CI,7CI,8CI);Exxal 8;
EINECS:	248-133-5
Density:	0.821 g/cm³
Melting Point:	<-76oC
Boiling Point:	179.2 °C at 760 mmHg
Flash Point:	71.1 °C
Solubility:	Insoluble in water
Appearance:	clear colorless liquid
Hazard Symbols:	R21:; R36:;
Risk Codes:	Xn:Harmful; "> Xn:Harmful;
PSA:	20.23000
LogP:	2.19510

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Consensus Reports

ISOOCTYL ALCOHOL is reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 50 ppm (skin)
ACGIH TLV: TWA 50 ppm (skin)
NIOSH REL: (Isooctyl Alcohol) TWA 50 ppm (skin)

Specification

The Isooctyl Alcohol, with the CAS registry number 26952-21-6, is also known as 6-Methyl-1-heptanol. Its EINECS registry number is 248-133-5. This chemical's molecular formula is C₈H₁₈O and molecular weight is 130.22792. Its systematic name is called 6-methylheptan-1-ol. This chemical's classification code is Skin / Eye Irritant. This chemical can be used as a solvent, in the making of cutting and lubricating oils, in hydraulic fluids, and in the production of other chemicals. It is clear colorless liquid.

Physical properties of Isooctyl Alcohol: (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)Index of Refraction: 1.426; (12)Molar Refractivity: 40.6 cm³; (13)Molar Volume: 158.4 cm³; (14)Surface Tension: 28 dyne/cm; (15)Density: 0.821 g/cm³; (16)Flash Point: 71.1 °C; (17)Enthalpy of Vaporization: 48.37 kJ/mol; (18)Boiling Point: 179.2 °C at 760 mmHg; (19)Vapour Pressure: 0.284 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCC(C)C
(2)InChI: InChI=1/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
(3)InChIKey: BWDBEAQIHAEVLV-UHFFFAOYAO

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	oral	140mg/kg (140mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974.
mammal (species unspecified)	LD50	unreported	1670mg/kg (1670mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse	LD50	oral	1670mg/kg (1670mg/kg)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 77, 1982.
rabbit	LD50	skin	2520mg/kg (2520mg/kg)		"Alcohols: Their Chemistry, Properties and Manufacture," Monick, J.A., New York, Reinhold Book, 1968Vol. -, Pg. 72, 1968.
rat	LD50	oral	1480mg/kg (1480mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	American Industrial Hygiene Association Journal. Vol. 34, Pg. 493, 1973.