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· · COA & SDS available for every product · Same-day shipping on in-stock items trans-(4-hydroxycyclohexyl) benzoate - ≥97% , CAS No.917771-54-1
Synonyms
4-hydroxycyclohexyl benzoate | starbld0049441 | J-515522 | SCHEMBL3233565 | LNXMWBSIGLFCEE-TXEJJXNPSA-N | Rel-(1s,4s)-4-hydroxycyclohexyl benzoate | F80251 | MFCD18311820 | NSC42297 | NSC-42297 | 1165894-81-4 | 4-BENZOYLOXYCYCLOHEXANOL | P19888 | ghl.PD_M
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
4-hydroxycyclohexyl benzoate | starbld0049441 | J-515522 | SCHEMBL3233565 | LNXMWBSIGLFCEE-TXEJJXNPSA-N | Rel-(1s,4s)-4-hydroxycyclohexyl benzoate | F80251 | MFCD18311820 | NSC42297 | NSC-42297 | 1165894-81-4 | 4-BENZOYLOXYCYCLOHEXANOL | P19888 | ghl.PD_M
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles
C1CC(CCC1O)OC(=O)C2=CC=CC=C2
IUPAC Name
(4-hydroxycyclohexyl) benzoate
InChIKey
LNXMWBSIGLFCEE-UHFFFAOYSA-N
INCHI
1S/C13H16O3/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2
Isomeric SMILES
C1CC(CCC1O)OC(=O)C2=CC=CC=C2
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 Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents Benzoyl derivatives Cyclohexanols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Benzoyl - Cyclohexanol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound Description 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 220.260 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 220.11 Da Monoisotopic Mass 220.11 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 225.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 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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