Benzyl DL-Mandelate - ≥98% , CAS No.890-98-2

CAS: 890-98-2 Cat. No.: B153107 Molecular Weight: 242.27 EC Number: 212-965-7
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
SY107958 | (RS)-BENZYL MANDELATE | Benzyl-dl-mandelate | BenzylDL-Mandelate | DTXSID301035097 | AKOS024302275 | MFCD00021856 | alpha-Hydroxybenzeneacetic acid phenylmethyl ester | Benzeneacetic acid, alpha-hydroxy-, phenylmethyl ester (9CI) | benzylmandel
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5g
B153107-5g
5

$9.90

$14.90
Save $5.00 (33.56%)
25g
B153107-25g
10

$27.90

$41.90
Save $14.00 (33.41%)
100g
B153107-100g
5

$90.90

$136.90
Save $46.00 (33.60%)
500g
B153107-500g
1

$340.90

$511.90
Save $171.00 (33.40%)
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🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
SY107958 | (RS)-BENZYL MANDELATE | Benzyl-dl-mandelate | BenzylDL-Mandelate | DTXSID301035097 | AKOS024302275 | MFCD00021856 | alpha-Hydroxybenzeneacetic acid phenylmethyl ester | Benzeneacetic acid, alpha-hydroxy-, phenylmethyl ester (9CI) | benzylmandel
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488181856
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181856
Canonical SmilesC1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
IUPAC Namebenzyl 2-hydroxy-2-phenylacetate
InChIKeyJFKWZVQEMSKSBU-UHFFFAOYSA-N
INCHI1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2
Isomeric SMILES C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
Molecular Weight 242.27
Reaxy-Rn 2379578
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2379578&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzyloxycarbonyls
Intermediate Tree Nodes Not available
Direct ParentBenzyloxycarbonyls
Alternative Parents Secondary alcohols  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Aromatic alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzyloxycarbonyl - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeDateItem
D2603321Certificate of AnalysisApr 07, 2026 B153107
C2317048Certificate of AnalysisAug 17, 2022 B153107
E2331202Certificate of AnalysisAug 17, 2022 B153107
I2217099Certificate of AnalysisAug 17, 2022 B153107
I2217100Certificate of AnalysisAug 17, 2022 B153107
I2217101Certificate of AnalysisAug 17, 2022 B153107
I2217110Certificate of AnalysisAug 17, 2022 B153107
Chemical and Physical Properties
SolubilitySoluble in Methanol
Melt Point(°C)95 °C
Molecular Weight242.270 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass242.094 Da
Monoisotopic Mass242.094 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count18
Formal Charge0
Complexity252.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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