Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4-Phenoxybutanoic acid

Related Products

Hot Products

Name

4-Phenoxybutanoic acid

EINECS 228-603-6
CAS No. 6303-58-8 Density 1.143 g/cm3
PSA 46.53000 LogP 1.93020
Solubility ethanol: 0.1 g/mL, clear Melting Point 63-65 °C
Formula C10H12O3 Boiling Point 349.6 °C at 760 mmHg
Molecular Weight 180.203 Flash Point 140.5 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6303-58-8 (4-Phenoxybutanoic acid) Hazard Symbols IrritantXi
Synonyms

4-Phenoxybutanoic acid;Butyricacid, 4-phenoxy- (6CI,7CI,8CI);NSC 64178;NSC 43294;4-Phenoxybutyric acid;g-Phenoxybutyric acid;

Article Data 43

4-Phenoxybutanoic acid Specification

The 4-Phenoxybutanoic acid, with CAS registry number 6303-58-8, belongs to the following product categories: (1)C10; (2)Carbonyl Compounds; (3)Carboxylic Acids. It has the systematic name of 4-phenoxybutanoic acid. And the chemical formula of this chemical is C10H12O3. What's more, its EINECS is 228-603-6.

Physical properties of 4-Phenoxybutanoic acid: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.28; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 3.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42.38; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 48.39 cm3; (15)Molar Volume: 157.5 cm3; (16)Polarizability: 19.18×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.143 g/cm3; (19)Flash Point: 140.5 °C; (20)Enthalpy of Vaporization: 62.7 kJ/mol; (21)Boiling Point: 349.6 °C at 760 mmHg; (22)Vapour Pressure: 1.74E-05 mmHg at 25°C.

Uses of 4-Phenoxybutanoic acid: it can be used to produce 4-Phenoxy-[1,1-D2]-1-butanol. This reaction will need reagent LiAlD4. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
The 4-Phenoxybutanoic acid irritates to eyes, respiratory system and skin. When use it, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCOc1ccccc1
(2)InChI: InChI=1/C10H12O3/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
(3)InChIKey: YKYVPFIBWVQZCE-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H12O3/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
(5)Std. InChIKey: YKYVPFIBWVQZCE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 700mg/kg (700mg/kg)   Pharmazie. Vol. 18, Pg. 642, 1963.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 6303-58-8