Allyl Cyclohexanepropionate - ≥98% , CAS No.2705-87-5

CAS: 2705-87-5 Cat. No.: A117689 Molecular Weight: 196.29 EC Number: 220-292-5
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
2-Propenyl 3-cyclohexylpropanoate | ALLYL .BETA.-CYCLOHEXYLPROPIONATE | Propanoic acid, 3-cyclohexyl, 2-propenyl ester | Cyclohexanepropanoic acid, 2-propen-1-yl ester | Cyclohexanepropionic Acid Allyl Ester | ALLYL CYCLOHEXANEPROPIONATE [FCC] | 2-Propeny
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5ml
A117689-5ml
5
$9.90
25ml
A117689-25ml
4
$12.90
100ml
A117689-100ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$36.90
500ml
A117689-500ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$171.90
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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
2-Propenyl 3-cyclohexylpropanoate | ALLYL .BETA.-CYCLOHEXYLPROPIONATE | Propanoic acid, 3-cyclohexyl, 2-propenyl ester | Cyclohexanepropanoic acid, 2-propen-1-yl ester | Cyclohexanepropionic Acid Allyl Ester | ALLYL CYCLOHEXANEPROPIONATE [FCC] | 2-Propeny
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488182404
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182404
Canonical SmilesC=CCOC(=O)CCC1CCCCC1
IUPAC Nameprop-2-enyl 3-cyclohexylpropanoate
InChIKeyTWXUTZNBHUWMKJ-UHFFFAOYSA-N
INCHI1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
Isomeric SMILES C=CCOC(=O)CCC1CCCCC1
WGK Germany 2
RTECS GV6735000
Molecular Weight 196.29
Reaxy-Rn 2254663
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2254663&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
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid esters
Alternative Parents Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors fatty acid ester
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.

12 results found

Lot NumberCertificate TypeDateItem
I1817156Certificate of AnalysisDec 22, 2025 A117689
K1306016Certificate of AnalysisFeb 19, 2025 A117689
G2521012Certificate of AnalysisJun 17, 2024 A117689
G2521013Certificate of AnalysisJun 17, 2024 A117689
G2521014Certificate of AnalysisJun 17, 2024 A117689
G2521015Certificate of AnalysisJun 17, 2024 A117689
J2430225Certificate of AnalysisJun 17, 2024 A117689
J2430226Certificate of AnalysisJun 17, 2024 A117689
J2430227Certificate of AnalysisJun 17, 2024 A117689
J2430228Certificate of AnalysisJun 17, 2024 A117689
C2301613Certificate of AnalysisMar 11, 2023 A117689
C2301614Certificate of AnalysisMar 11, 2023 A117689

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Chemical and Physical Properties
Refractive Index1.46
Flash Point(°F)108 °C
Flash Point(°C)108°C
Boil Point(°C)91°C
Molecular Weight196.290 g/mol
XLogP33.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass196.146 Da
Monoisotopic Mass196.146 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count14
Formal Charge0
Complexity181.000
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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