CAS No.13403-01-5,2-(2,4-Di-tert-pentylphenoxy)butryic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13403-01-5
Name:	2-(2,4-Di-tert-pentylphenoxy)butryic acid
Article Data:	4

Formula:	C₂₀H₃₂O₃
Molecular Weight:	320.472
Synonyms:	Butyricacid, 2-(2,4-di-tert-pentylphenoxy)- (6CI,7CI,8CI);2-(2,4-Di-tert-amylphenoxy)butyric acid;2-(2,4-Di-tert-pentylphenoxy)butyricacid;
EINECS:	236-495-7
Density:	0.988 g/cm³
Melting Point:	76-78 °C
Boiling Point:	414.93 °C at 760 mmHg
Flash Point:	134.181 °C
PSA:	46.53000
LogP:	5.30380

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Chemistry

Molecular Structure of 2-(2,4-Di-tert-pentylphenoxy)butryic acid (CAS NO.13403-01-5):

IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid
Empirical Formula: C₂₀H₃₂O₃
Molecular Weight: 320.4663
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 8
Polar Surface Area: 35.53Å²
Index of Refraction: 1.493
Molar Refractivity: 94.39 cm³
Molar Volume: 324.3 cm³
Surface Tension: 33.1 dyne/cm
Density: 0.988 g/cm³
Flash Point: 134.2 °C
Enthalpy of Vaporization: 70.42 kJ/mol
Boiling Point: 414.9 °C at 760 mmHg
Vapour Pressure: 1.25E-07 mmHg at 25°C
EINECS: 236-495-7
Melting Point: 76-78 °C
InChI
InChI=1/C20H32O3/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3,(H,21,22)
Smiles
C([C@@H](CC)Oc1c(cc(cc1)C(CC)(C)C)C(CC)(C)C)(=O)O

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LD50	skin	> 20mL/kg (20mL/kg)	Kodak Company Reports. Vol. 21MAY1971,
rat	LD50	intraperitoneal	400mg/kg (400mg/kg)	Kodak Company Reports. Vol. 21MAY1971,
rat	LD50	oral	> 3200mg/kg (3200mg/kg)	Kodak Company Reports. Vol. 21MAY1971,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

2-(2,4-Di-tert-pentylphenoxy)butryic acid , with CAS number of 13403-01-5, can be called 2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]butanoic acid ; Butanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- ; 2-[2,4-Bis(tert-pentyl)phenoxy]butyric acid ; Butyric acid, 2-(2,4-di-tert-pentylphenoxy)- .