Benzeneacetic acid, a-(hydroxymethyl)- supplier

Name
DL-TROPIC ACID
EINECS 208-465-3
CAS No. 552-63-6
Density 1.262 g/cm³
Solubility 0.1 g/mL, clear in methanol
Melting Point 116-118 °C(lit.)
Formula C₉H₁₀O₃
Boiling Point 322.5 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 163.1 °C
Transport Information
Appearance white crystalline solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzeneaceticacid, a-(hydroxymethyl)-, (?à)-;Tropic acid, (?à)- (8CI);(?à)-2-Phenyl-3-hydroxypropionicacid;(?à)-3-Hydroxy-2-phenylpropionicacid;(?à)-Tropic acid;2-Phenyl-3-hydroxypropanoic acid;2-Phenyl-3-hydroxypropionic acid;2-Phenylhydracrylic acid;3-Hydroxy-2-phenylpropionic acid;DL-Tropic acid;NSC20990;Tropic acid;
PSA 57.53000
LogP 0.84710

Benzeneacetic acid, a-(hydroxymethyl)- Specification

The Benzeneacetic acid, a-(hydroxymethyl)-, with the CAS registry number 552-63-6 and EINECS registry number 208-465-3, has the systematic name of 3-hydroxy-2-phenylpropanoic acid. It is a kind of white crystalline solid. And the molecular formula of this chemical is C₉H₁₀O₃. Besides, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The physical properties of Benzeneacetic acid, a-(hydroxymethyl)- are as following: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.45; (4)ACD/LogD (pH 7.4): -3.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 43.53 cm³; (15)Molar Volume: 131.6 cm³; (16)Polarizability: 17.25×10^-24cm³; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.262 g/cm³; (19)Flash Point: 163.1 °C; (20)Enthalpy of Vaporization: 59.58 kJ/mol; (21)Boiling Point: 322.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000114 mmHg at 25°C.

Uses of Benzeneacetic acid, a-(hydroxymethyl)-: It can react with (2-chloro-ethyl)-diethyl-amine to produce tropic acid-(2-diethylamino-ethyl ester). This reaction will need reagentisopropyl alcohol.

Benzeneacetic acid, a-(hydroxymethyl)- can react with (2-chloro-ethyl)-diethyl-amine to produce tropic acid-(2-diethylamino-ethyl ester)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(c1ccccc1)CO
(2)InChI: InChI=1/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
(3)InChIKey: JACRWUWPXAESPB-UHFFFAOYAV

Product Name

DL-TROPIC ACID

Benzeneacetic acid, a-(hydroxymethyl)- Specification

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