Cyclopentanecarboxylic acid, 1-methyl-, methyl ester

HCID 138306
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Basic information

CAS
4630-83-5
Standard SMILES
COC(=O)C1(C)CCCC1
InChIKey
SUCGJXDLZCDFRV-UHFFFAOYSA-N
Molecular formula
C8H14O2
Average molar mass
142.2 g/mol
Monoisotopic mass
142.09937969

Names & identifiers

Preferred name
Cyclopentanecarboxylic acid, 1-methyl-, methyl ester
IUPAC
methyl 1-methylcyclopentane-1-carboxylate
English name
Methyl 1-methylcyclopentanecarboxylate
Molecular formula
C8H14O2
Molecular weight
142.2

Names & synonyms

4630-83-5Cyclopentanecarboxylic acid, 1-methyl-, methyl esterDTXSID10196807RefChem:129854DTXCID10119298SUCGJXDLZCDFRV-UHFFFAOYSA-Nmethyl 1-methylcyclopentanecarboxylatemethyl 1-methylcyclopentane-1-carboxylateMFCD22374940Cyclopentanoic acid, 1-methyl, methyl esterSCHEMBL17958SCHEMBL1439739
Show more names
1-methylcyclopentane-1-carboxylic acid methyl ester1-methyl-1-cyclopentanecarboxylic acid methyl ester
SCHEMBL2289865ALBB-022003methyl1-methylcyclopentanecarboxylate1-Methyl methylcyclopentanecarboxylateAKOS015997877DB-198398CS-00891531-methyl-cyclopentanecarboxylic acid methyl ester

Database identifiers

CAS
4630-83-5
PubChem CID
138306
DTXSID
DTXSID10196807

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

Physicochemical properties

Boiling point
219.78 °C · 219.78°C (rough estimate)
Density
1.0037 · 1.0037 (rough estimate)
refractive index
1.463 · 1.4630 (estimate)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers14 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
天津艾诺医药科技有限公司13269213627 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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