ethyl cis-3-hydroxy-1-methyl-cyclobutanecarboxylate - ≥97% , CAS No.1408074-72-5

CAS: 1408074-72-5 Cat. No.: E628960 Molecular Weight: 158.19 PubChem CID: 72207668
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
AS-51772 | 1823058-98-5 | ethyl3-hydroxy-1-methyl-cyclobutanecarboxylate | Ethyl (1s,3r)-3-hydroxy-1-methylcyclobutane-1-carboxylate | PB38290 | SB20571 | SCHEMBL14127655 | SMR002529950 | (1r,3r)-ethyl 3-hydroxy-1-methylcyclobutanecarboxylate | ethyl rel-
Storage
Room temperature
Shipped In
Normal
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100mg
E628960-100mg
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250mg
E628960-250mg
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500mg
E628960-500mg
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1g
E628960-1g
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5g
E628960-5g
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$215.90

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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
AS-51772 | 1823058-98-5 | ethyl3-hydroxy-1-methyl-cyclobutanecarboxylate | Ethyl (1s, 3r)-3-hydroxy-1-methylcyclobutane-1-carboxylate | PB38290 | SB20571 | SCHEMBL14127655 | SMR002529950 | (1r, 3r)-ethyl 3-hydroxy-1-methylcyclobutanecarboxylate | ethyl rel-
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCCOC(=O)C1(CC(C1)O)C
IUPAC Nameethyl 3-hydroxy-1-methylcyclobutane-1-carboxylate
InChIKeyQBOGWOWEVMVLTQ-UHFFFAOYSA-N
INCHI1S/C8H14O3/c1-3-11-7(10)8(2)4-6(9)5-8/h6,9H,3-5H2,1-2H3
Isomeric SMILES CCOC(=O)C1(CC(C1)O)C
Alternate CAS 1408074-72-5
PubChem CID 72207668
Molecular Weight 158.19

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
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Not available
Direct ParentCyclic alcohols and derivatives
Alternative Parents Secondary alcohols  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Secondary alcohol - Cyclobutanol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl 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:
Chemical and Physical Properties
Molecular Weight158.190 g/mol
XLogP30.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass158.094 Da
Monoisotopic Mass158.094 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count11
Formal Charge0
Complexity159.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
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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