CAS No.1918-11-2,TERBUTOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1918-11-2
Name:	TERBUTOL

Formula:	C₁₇H₂₇NO₂
Molecular Weight:	277.407
Synonyms:	Carbamicacid, methyl-, 2,6-di-tert-butyl-p-tolyl ester (7CI,8CI);Phenol,2,6-bis(1,1-dimethylethyl)-4-methyl-, methylcarbamate (9CI);2,6-Di-tert-butyl-4-methylphenyl-N-methylcarbamate;2,6-Di-tert-butyl-p-tolylmethylcarbamate;Azak;MBPMC;Terbucarb;
Density:	0.971 g/cm³
Melting Point:	203-204℃
Boiling Point:	334.3 °C at 760 mmHg
Flash Point:	156 °C
Solubility:	6.5mg/L(25 oC)
PSA:	38.33000
LogP:	4.69910

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Specification

The Terbutol, with the CAS registry number 1918-11-2, is also known as 2,6-Bis(1,1-dimethylethyl)-4-methylphenyl methylcarbamate. It belongs to the product categories of Carbamate Alphabetic; Herbicides; Pesticides & Metabolites; TA - TE. This chemical's molecular formula is C₁₇H₂₇NO₂ and molecular weight is 277.40. What's more, its IUPAC name is called (2,6-Ditert-butyl-4-methylphenyl) N-methylcarbamate. This chemical should be storaged at 0-6 °C.

Physical properties about Terbutol are: (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3732.92; (6)ACD/BCF (pH 7.4): 3732.88; (7)ACD/KOC (pH 5.5): 12544.86; (8)ACD/KOC (pH 7.4): 12544.74; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 82.78 cm³; (15)Molar Volume: 285.5 cm³; (16)Surface Tension: 30.4 dyne/cm; (17)Density: 0.971 g/cm³; (18)Flash Point: 156 °C; (19)Enthalpy of Vaporization: 57.73 kJ/mol; (20)Boiling Point: 334.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000129 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)NC
(2) InChI: InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)
(3) InChIKey: PNRAZZZISDRWMV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 34600mg/kg (34600mg/kg)		Residue Reviews. Vol. 10, Pg. 97, 1965.
rat	LD50	skin	> 10250mg/kg (10250mg/kg)		World Review of Pest Control. Vol. 9, Pg. 119, 1970.