Basic information
- CAS
41076-10-2- Standard SMILES
COC(=O)C1CCC(C)CC1- InChIKey
QJMSVBUMBNELCF-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 4-methyl-, methyl ester
- IUPAC
- methyl 4-methylcyclohexane-1-carboxylate
- English name
- Methyl 4-Methylcyclohexanecarboxylate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
Methyl 4-methylcyclohexanecarboxylateCyclohexanecarboxylic acid, 4-methyl-, methyl esterMMCHC4-Methylcyclohexanecarboxylic acid methyl esterDTXSID3068623UNII-1678W73A681678W73A68RefChem:129569DTXCID3040980QJMSVBUMBNELCF-UHFFFAOYSA-N51181-40-9methyl 4-methylcyclohexane-1-carboxylate
Show more names
methyl 4-methyl-1-cyclohexanecarboxylate4-methyl-Cyclohexanecarboxylic acid methyl ester (6CI 7CI 9CI ACI)Cyclohexanecarboxylic acid, 4-methyl-, methyl ester (6CI, 7CI, 9CI, ACI)
41076-10-2AF768W8UFNMethyl 4-methylcyclohexanecarboxylate, cis-Cyclohexanecarboxylic acid, 4-methyl-, methyl ester, cis-4-Methyl-cyclohexanecarboxylic Acid Methyl Ester; Methyl 4-Methylcyclohexanecarboxylate; Cyclohexanecarboxylic acid, 4-methyl-, methyl ester (6CI, 7CI, 9CI, ACI); methyl 4-methylcyclohexane-1-carboxylateUNII-AF768W8UFNSCHEMBL255285SCHEMBL764832
Database identifiers
- CAS
41076-10-2、51181-40-9- PubChem CID
- 170993
- DTXSID
DTXSID3068623- UNII
- AF768W8UFN、D64N86PC8X
- EC Number
- 803-922-9
- Nikkaji
- J100.818H、J785.078F、J785.079D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 83 · 83-86 °C(Press: 13 Torr)
- Density
- 0.952 · 0.952±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Clear Colourless
- FDA UNII
- 1678 W73A68 · 1678W73A68
- EPA Substance Registry System
- 4 · Cyclohexanecarboxylic acid, 4-methyl-, methyl ester (51181-40-9)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 319 · H319-H226
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Cyclohexanecarboxylic acid, 4-methyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanecarboxylic acid, 4-methyl-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H319-H226
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Cyclohexanecarboxylic acid, 4-methyl-, methyl ester: ACTIVE
Applications
Uses4-Methylcyclohexanecarboxylic Acid Methyl Ester is the methyl ester derivative of 4-Methyl-cyclohexanecarboxylic Acid (M299530) and is used as a starting material in many organic reactions.
Suppliers19 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Pharmahands (Taizhou) Co., Ltd.+86 523-86200360
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…