Hydroxy(3-hydroxy-4-methoxyphenyl)acetic acid supplier

Name
DL-4-HYDROXY-3-METHOXYMANDELIC ACID
EINECS 223-017-7
CAS No. 3695-24-7
Density 1.44 g/cm³
Solubility
Melting Point 132-134 °C (dec.)(lit.)
Formula C₉H₁₀O₅
Boiling Point 445.6 °C at 760 mmHg
Molecular Weight 198.175
Flash Point 184.3 °C
Transport Information
Appearance off-white to beige fine crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (2R)-2-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)acetate;2-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic acid;2-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)acetic acid;
PSA 86.99000
LogP 0.51880

Hydroxy(3-hydroxy-4-methoxyphenyl)acetic acid Specification

The (2S)-2-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)acetate, with the CAS registry number 3695-24-7 and EINECS registry number 3695-24-7, has the systematic name of hydroxy(3-hydroxy-4-methoxyphenyl)acetic acid. It is a kind of off-white to beige fine crystalline powder, and the molecular formula of the chemical is C₉H₁₀O₅.

The characteristics of (2S)-2-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)acetate are as followings: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.7; (4)ACD/LogD (pH 7.4): -3.79; (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: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 47.46 cm³; (15)Molar Volume: 137.5 cm³; (16)Polarizability: 18.81×10^-24cm³; (17)Surface Tension: 66.4 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 184.3 °C; (20)Enthalpy of Vaporization: 74.15 kJ/mol; (21)Boiling Point: 445.6 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(O)c1ccc(OC)c(O)c1
(2)InChI: InChI=1/C9H10O5/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
(3)InChIKey: PXMUSCHKJYFZFD-UHFFFAOYAD

Product Name

DL-4-HYDROXY-3-METHOXYMANDELIC ACID

Hydroxy(3-hydroxy-4-methoxyphenyl)acetic acid Specification

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