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Methyl 3-(1-Hydroxyethyl)benzoate - ≥95% , CAS No.87808-11-5
Disponibile su ordine
GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships 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
Specifiche e purezza
≥95%
Condizioni di conservazione di stoccaggio
Room temperature
Purezza
≥95%
Nomi e identificatori
Sorrisi canonici
CC(C1=CC(=CC=C1)C(=O)OC)O
IUPAC Name
methyl 3-(1-hydroxyethyl)benzoate
InChIKey
NYOJUUILPLWPHN-UHFFFAOYSA-N
INCHI
1S/C10H12O3/c1-7(11)8-4-3-5-9(6-8)10(12)13-2/h3-7,11H,1-2H3
Isomeri SMILES
CC(C1=CC(=CC=C1)C(=O)OC)O
PubChem CID
20428670
Peso molecolare
180.2
Documentazione
📋 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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Classe Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
- Classe Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzoyl derivatives Methyl esters Secondary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Methyl ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
Struttura 3D
Modello di struttura chimica interattiva
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
| Peso molecolare | 180.200 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 180.079 Da |
| Monoisotopic Mass | 180.079 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 179.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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