1-cyclobutylpropan-2-one - ≥97% , CAS No.13027-76-4

CAS: 13027-76-4 Cat. No.: C628157 Molecular Weight: 112.17 EC Number: 856-402-9 PubChem CID: 12544790
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
1-cyclobutylpropan-2-one | Z1263592386 | MFCD21240488 | 1-Cyclobutyl-2-propanone | DSZACMSTKNWDET-UHFFFAOYSA-N | AKOS014797476 | Cyclobutylaceton | D79207 | BS-42726 | 2-Propanone, 1-cyclobutyl- | EN300-106081 | SY139852 | DTXSID10502000 | SCHEMBL1396131
Storage
Room temperature
Shipped In
Normal
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Size
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Price
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100mg
C628157-100mg
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$229.90

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250mg
C628157-250mg
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$364.90

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500mg
C628157-500mg
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$656.90

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1g
C628157-1g
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$1,182.90

$1,774.90
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5g
C628157-5g
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$4,433.90

$6,650.90
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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.

📋

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
1-cyclobutylpropan-2-one | Z1263592386 | MFCD21240488 | 1-Cyclobutyl-2-propanone | DSZACMSTKNWDET-UHFFFAOYSA-N | AKOS014797476 | Cyclobutylaceton | D79207 | BS-42726 | 2-Propanone, 1-cyclobutyl- | EN300-106081 | SY139852 | DTXSID10502000 | SCHEMBL1396131
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCC(=O)CC1CCC1
IUPAC Name1-cyclobutylpropan-2-one
InChIKeyDSZACMSTKNWDET-UHFFFAOYSA-N
INCHI1S/C7H12O/c1-6(8)5-7-3-2-4-7/h7H,2-5H2,1H3
Isomeric SMILES CC(=O)CC1CCC1
Alternate CAS 13027-76-4
PubChem CID 12544790
Molecular Weight 112.17

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
SubclassCarbonyl compounds
Intermediate Tree Nodes Not available
Direct ParentKetones
Alternative Parents Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
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 Weight112.170 g/mol
XLogP31.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass112.089 Da
Monoisotopic Mass112.089 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count8
Formal Charge0
Complexity92.600
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
Reviews

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