Basic information
- CAS
18448-47-0- Standard SMILES
COC(=O)C1=CCCCC1- InChIKey
KXPWRCPEMHIZGU-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- Methyl cyclohex-1-ene-1-carboxylate
- IUPAC
- methyl cyclohexene-1-carboxylate
- English name
- Methyl 1-cyclohexene-1-carboxylate
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
18448-47-0Methyl cyclohex-1-ene-1-carboxylate1-Cyclohexene-1-carboxylic acid, methyl esterEINECS 242-331-5DTXSID80171580RefChem:817689DTXCID0094071242-331-5Methyl 1-cyclohexene-1-carboxylatemethyl cyclohex-1-enecarboxylateMethyl 1-Cyclohexenecarboxylatemethyl cyclohexene-1-carboxylate
Show more names
EOS-61631TIMTEC-BB SBB008621RARECHEM AL BF 0805METHYL 3,4,5,6-TETRAHYDROBENZOATE
1-(carbomethoxy)cyclohexeneMFCD000015441-cyclohexene-1-carboxylic acid methyl estercyclohexene-1-carboxylic acid methyl ester1-(Methoxycarbonyl)-1-cyclohexeneDS-18596Methyl 1-cyclohexene-1-carboxylate, >=97%J-640331
Database identifiers
- CAS
18448-47-0- PubChem CID
- 87647
- DTXSID
DTXSID80171580- EC Number
- 242-331-5
- Nikkaji
- J82.753C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 190 · 190-192 °C
- Density
- 1.028 g/mL · 1.028 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.477
- Flash point
- 165 °F · 165 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Clear colorless
- Water Solubility
- insoluble
- BRN
- 1071971 · 1071971
- 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
- C1(C(OC)=O)CCCCC=1
- CAS DataBase Reference
- 18448 · 18448-47-0(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Methyl 1-cyclohexene-1-carboxylate(18448-47-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory Information1-Cyclohexene-1-carboxylic acid, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29162090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Applications
UsesMethyl 1-cyclohexene-1-carboxylate is used in the diastereoselective synthesis of cis-1,2-dialkenylcyclopropanols and methyl -7,7-dimethyl-9-oxo-1,3,4,4a,6,7,8,9,9b-decahydrodibenzo[b,d]furan-4a-carboxylate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers86 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
11 records
Compound notes
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