CAS No.10385-30-5,4-BENZYLOXYBUTYRIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10385-30-5
Name:	4-BENZYLOXYBUTYRIC ACID
Article Data:	35

Formula:	C₁₁H₁₄O₃
Molecular Weight:	194.23
Synonyms:	4-Benzyloxybutyric acid;4-(Benzyloxy)butanoic acid;Butyric acid, 4-(benzyloxy)-;
EINECS:	628-164-4
Density:	1.124 g/cm³
Boiling Point:	339.1 °C at 760 mmHg
Flash Point:	131.3 °C
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-27-36/37/39-45
Transport Information:	UN 3265
PSA:	46.53000
LogP:	2.06800

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Specification

The Butanoic acid,4-(phenylmethoxy)-, with the CAS registry number of 10385-30-5, is also known as 4-Benzyloxybutyric acid. It belongs to the product categories of C11 to C12; Carbonyl Compounds; Carboxylic Acids. The molecular formula of this chemical is C₁₁H₁₄O₃ and its molecular weight is 194.23. What's more, its systematic name is 4-(Benzyloxy)butanoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Butanoic acid,4-(phenylmethoxy)- are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): -0.74; (5)ACD/BCF (pH 5.5): 2.26; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 53.01 cm³; (15)Molar Volume: 172.7 cm³; (16)Polarizability: 21.01×10^-24 cm³; (17)Surface Tension: 43.8 dyne/cm; (18)Density: 1.124 g/cm³; (19)Flash Point: 131.3 °C; (20)Enthalpy of Vaporization: 61.48 kJ/mol; (21)Boiling Point: 339.1 °C at 760 mmHg; (22)Vapour Pressure: 3.66E-05 mmHg at 25 °C.

Preparation of Butanoic acid,4-(phenylmethoxy)-: this chemical is prepared by 4-Benzyloxy-butan-1-ol. The reaction needs reagents CrO₃ and H₂SO₄. Meanwhile, it needs solvents Acetone and H₂O. The reaction temperature is 0 °C.

The Butanoic acid,4-(phenylmethoxy)- can be obtained by 4-Benzyloxy-butan-1-ol.

Uses of Butanoic acid,4-(phenylmethoxy)-: it is used to produce other chemicals. For example, it can react with 3-Chloro-2-methyl-propene to produce 2-(2-Benzyloxy-ethyl)-4-methyl-pent-4-enoic acid. This reaction needs reagents Lithium diisopropylamide and Hexamethylphosphoramide. Meanwhile, it needs solvents Tetrahydrofuran and Hexane. The reaction time is 1.5 hours. The reaction temperature is 0 °C to room temperature.

Butanoic acid,4-(phenylmethoxy)- can be used to produce 2-(2-Benzyloxy-ethyl)-4-methyl-pent-4-enoic acid.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it can cause burns. In addition, this chemical may destroy living tissue on contact. So, take off immediately all contaminated clothing. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, in case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCOCc1ccccc1
(2) InChI: InChI=1/C11H14O3/c12-11(13)7-4-8-14-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,12,13)
(3) InChIKey: CXEFZVVLTJQWBF-UHFFFAOYAJ