Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediate>Pharmaceutical
Mandelic acid structure
Mandelic acid structure

Mandelic acid

Iupac Name:(2R)-2-hydroxy-2-phenylacetic acid
CAS No.: 611-71-2
Molecular Weight:152.14732
Modify Date.: 2022-11-29 07:42
Introduction:

D-(-)-Mandelic acid is a natural compound isolated from bitter almonds.


(R)-mandelic acid is the (R)-enantiomer of mandelic acid. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a (R)-mandelate. It is an enantiomer of a (S)-mandelic acid.

View more+
1. Names and Identifiers
1.1 Name
Mandelic acid
1.2 Synonyms

(-)-(R)-Mandelic acid (-)-a-Hydroxyphenylacetic acid (-)-D-Mandelic acid (-)-Mandelic acid (-)-α-Hydroxyphenylacetic acid (2R)-2-Hydroxy-2-phenylacetic acid (R)-(-)-Hydroxyphenylacetic acid (R)-(-)-Hydroxyphenylaceticacid (R)-(-)-Mandelic acid (R)-2-Hydroxy-2-(phenyl)ethanoic acid (R)-2-Hydroxy-2-phenylacetic acid (R)-a-Hydroxybenzeneaceticacid (R)-a-Hydroxyphenylacetic acid (R)-Amygdalic acid (R)-Hydroxy(phenyl)acetic acid (R)-Mandelic acid (R)-Mandelicacid (R)-α-Hydroxybenzeneacetic acid (R)-α-Hydroxyphenylacetic acid (αR)-α-Hydroxybenzeneacetic acid Benzeneacetic acid, α-hydroxy-, (R)- Benzeneacetic acid, α-hydroxy-, (αR)- Benzeneaceticacid, a-hydroxy-, (R)- D(-)-Mandelic acid D-2-Phenylglycolic acid D-Mandelic acid Mandelic acid, D- Mandelic acid, D-(8CI) R-(-)-Mandelic acid

View all
1.3 CAS No.
611-71-2
1.4 CID
11914
1.5 EINECS(EC#)
210-276-6
1.6 Molecular Formula
C8H8O3 (isomer)
1.7 Inchi
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
1.8 InChIkey
IWYDHOAUDWTVEP-SSDOTTSWSA-N
1.9 Canonical Smiles
C1=CC=C(C=C1)C(C(=O)O)O
1.10 Isomers Smiles
C1=CC=C(C=C1)[C@H](C(=O)O)O
2. Properties
2.1 Density
1.321
2.1 Melting point
130-134℃
2.1 Boiling point
321.8 °C at 760 mmHg
2.1 Refractive index
-153.5 ° (C=1, H2O)
2.1 Flash Point
162.6 °C
2.1 Precise Quality
152.04700
2.1 PSA
57.53000
2.1 logP
0.80460
2.1 Solubility
109.8g/l soluble
2.2 Appearance
White crystals
2.3 Storage
Light Sensitive. Ambient temperatures.
2.4 Chemical Properties
white to light yellow crystal powde
2.5 Color/Form
Powder
2.6 PH
2.1 (60g/l, H2O, 20℃)
2.7 pKa
3.37(at 25℃)
2.8 Water Solubility
It is partly soluble in water, freely soluble in isopropyl and ethyl alcohol.
2.9 Stability
Stable, but light sensitive. Combustible. Incompatible with strong bases, strong oxidizing agents.
2.10 StorageTemp
Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container.
3. Use and Manufacturing
3.1 Purification Methods
Purify the mandelic acids by recrystallisation from H2O, *C6H6 or CHCl3. [Roger J Chem Soc 2168 1932,Jamison & Turner J Chem Soc 611 1942.] They have solubilities in H2O of ca 11% at 25o. [Banks & Davies J Chem Soc 73 1938.] The S-benzylisothiuronium salts has m 180o (from H2O) and [] D 25 (+) and (-) 57o (c20, EtOH) [El Masri et al. Biochem J 68 199 1958]. [Beilstein 10 IV 564.] Mandelic acid Preparation Products And Raw materials Preparation Products
3.2 Usage
Antiseptic (urinary).
4. Safety and Handling
4.1 Hazard Codes
Xi
4.1 Risk Statements
R41
4.1 Safety Statements
S24/25
4.1 Hazard Declaration
H318
4.1 RIDADR
25kgs in
4.1 Caution Statement
P280-P305 + P351 + P338
4.1 WGK Germany
1
4.1 Safety
Hazard Codes:Xi
Risk Statements:41-36/37/38
41:Risk of serious damage to eyes
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:22-24/25-36-26
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
36:Wear suitable protective clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:1
Hazard Note:Irritant/Light Sensitive
HS Code:29181980
4.2 Sensitive
Light Sensitive
4.3 Specification

white to light yellow crystal powde
usageEng:Antiseptic (urinary).
Safety Statements:22-24/25-36-26
22:Do not breathe dust
24/25:Avoid contact with skin and eyes
36:Wear suitable protective clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
4.4 Toxicity
LD50 orally in Rabbit: 5000 mg/kg
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

8. Other Information
8.0 Usage
(R)-(-)-Mandelic acid, is used as a antiseptic ingredient particularly against urinary tract infections.Mandelic acid and its derivatives are used to apply the dual activities as an antibacterial agent and as an antiaging agent. It is used as an intermediate for the synthesis of target molecules for other applications.
8.1 Manufacturing Info
Benzeneacetic acid, .alpha.-hydroxy-, (.alpha.R)-: ACTIVE
9. Computational chemical data
  • Molecular Weight: 152.14732g/mol
  • Molecular Formula: C8H8O3
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 152.047344113
  • Monoisotopic Mass: 152.047344113
  • Complexity: 138
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 57.5
  • Heavy Atom Count: 11
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADBSgmAIwCIAAAgCIAiDSCAICAAAgAAAIiAFACIgJNjKAFRCAcAAkwAEJmAeIyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
10. Question & Answer
  • Mandelic acid, also known as almond acid or phenylglycolic acid, is derived from peach leaves and willow leaves. It shares the same origin as salicylic acid. As a lipophilic fruit acid, it has a high ..
  • Mandelic acid, an aromatic alpha hydroxy acid (AHA) with the molecular formula C6H5CH(OH)CO2H, is a versatile compound that offers numerous benefits and uses in skincare. This white crystalline solid ..
  • Mandelic acid is 2-hydroxy-2-phenylacetic acid, Ph-CHOH-COOH. Its reaction with ethanol in the presence of HCl will produce an ester, ethyl mandelate, which has formula Ph-CHOH-CO-O-CH2-CH3.
11. Recommended Suppliers
Global313SuppliersView all >>
  • Products:API,fine chemical&its intermediates,biological chemistry
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Factory supply D-Mandelic acid Cas 611-71-2 with good quality best purity
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 35 USD/kilogram
  • Time: 2023/09/21
Inquire
  • Products:Chemical;Pharmaceutical Raw Materials
  • Tel:00-86-19314086563
  • Email:zoey@anhuiruihan.com
Low Price Mandelic Acid Powder CAS 611-71-2 with High Quality
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 50 USD/kg
  • Time: 2023/09/21
Inquire
  • Products:Pharmaceutical retail; Calendar wholesale; Veterinary drug management
  • Tel:+86-185-33194109
  • Email:berry@cetengbiology.com
D-(-)-Mandelic acid,cas:611-71-2
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 20 USD/t
  • Time: 2023/09/21
Inquire
  • Products:We are engaged in the development, marketing and sales of apis, intermediates, natural products (extracts), fine chemicals, food additives, agricultural chemicals and other products.
  • Tel:0086-0319-19131200228
  • Email:17610795226@chengcaibio.com
Factory direct sales Mandelic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/kg
  • Time: 2023/09/21
Inquire
  • Products:chemicals, pharmaceutical intermediates,
  • Tel:00-86-8615603117060
  • Email:sales01@cn-js.cn
Factory Supply CAS 611-71-2 Mandelic acid
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/g
  • Time: 2023/09/21
Inquire
12. Realated Product Infomation