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Methyl 1-cyclohexene-1-carboxylate - 97%, high purity , CAS No.18448-47-0

COA

Grade & Purity:

≥97%

Cas Number: 18448-47-0
Molecular Weight: 140.18
MDL number: MFCD00001544
PubChem CID: 87647
PubChem SID: 488186431

In stock

Item Number

M168102

Grouped product items
SKU	Size	Availability	Price
M168102-1g	1g	2	$27.90
M168102-5g	5g	3	$106.90
M168102-10g	10g	10	$191.90
M168102-25g	25g	4	$364.90
M168102-100g	100g	2	$1,313.90

Discover Methyl 1-cyclohexene-1-carboxylate by Aladdin Scientific in 97% for only $27.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl 1-cyclohexene-1-carboxylate, >=97% \| J-640331 \| methyl cyclohexene-1-carboxylate \| 1-(Methoxycarbonyl)-1-cyclohexene; Methyl 1-cyclohexene-1-carboxylate; Methyl 1-cyclohexenecarboxylate \| 1-cyclohexene-1-carboxylic acid methyl ester \| DS-18596 \| DT
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	Methyl 1-cyclohexene-1-carboxylate was used in,diastereoselective synthesis of cis-1,2-dialkenylcyclopropanols,synthesis of methyl 7,7-dimethyl-9-oxo-1,3,4,4a,6,7,8,9,9b-decahydrodibenzo[b,d]furan-4a-carboxylate,synthesis of ethyl 7-oxo-7b,8,9,10,11,11a-hexahydro-7H-benzo[b]phenaleno[2,1-d]furan-11a-carboxylate.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid esters
        Level6 Alpha,beta-unsaturated carboxylic esters
        Level7 Enoate esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
Direct Parent	Enoate esters
Alternative Parents	Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Enoate ester - Methyl ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488186431
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488186431
IUPAC Name	methyl cyclohexene-1-carboxylate
INCHI	InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChIKey	KXPWRCPEMHIZGU-UHFFFAOYSA-N
Smiles	COC(=O)C1=CCCCC1
Isomeric SMILES	COC(=O)C1=CCCCC1
WGK Germany	3
Molecular Weight	140.18
Reaxy-Rn	1071971
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071971&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
L2411172	Certificate of Analysis	Aug 16, 2024	M168102
J2229612	Certificate of Analysis	Aug 16, 2024	M168102
J2229647	Certificate of Analysis	Aug 16, 2024	M168102
J2229649	Certificate of Analysis	Aug 16, 2024	M168102
J2229659	Certificate of Analysis	Aug 16, 2024	M168102
J2229646	Certificate of Analysis	Aug 16, 2024	M168102
L1902138	Certificate of Analysis	Jul 19, 2023	M168102
L2219145	Certificate of Analysis	Dec 29, 2022	M168102

Chemical and Physical Properties

Solubility	Immiscible with water.
Refractive Index	1.477
Flash Point(°F)	159.8 °F
Flash Point(°C)	71 °C
Boil Point(°C)	190-192 °C
Molecular Weight	140.180 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	140.084 Da
Monoisotopic Mass	140.084 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	159.000
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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