Basic information
- CAS
54714-33-9- Standard SMILES
CC(=O)OC1CCCCC1C- InChIKey
AKIIJALHGMKJEJ-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 2-Methylcyclohexyl acetate
- IUPAC
- (2-methylcyclohexyl) acetate
- English name
- 2-Methylcyclohexyl acetate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
2-Methylcyclohexyl acetate5726-19-2Cyclohexanol, 2-methyl-, acetateUNII-DT3AUW483OEINECS 227-231-1DT3AUW483ODTXSID70863609EC 227-231-1NSC 109144NSC-109144Cyclohexanol, 2-methyl-, acetate, trans-Cyclohexanol, 2-methyl-, acetate, (1R-trans)-
Show more names
2-MCAo-MCHA2-Methylcyclohexl Acetate2-methyl-cyclohexanoacetate2-Methylcyclohexanol acetate2-Methylcyclohexyl Acetate >(2-methylcyclohexyl) ethanoateortho-Methylcyclohexyl acetateDimethyl 48-bromo terephthalate
RefChem:88295O-METHYLCYCLOHEXYL ACETATEDTXCID40812200CYCLOHEXANOL, 2-METHYL-, 1-ACETATE227-231-1AKIIJALHGMKJEJ-VXNVDRBHSA-N(2-methylcyclohexyl) acetate2-METHYLCYCLOHEXYLACETATE
Database identifiers
- CAS
54714-33-9、5726-19-2- PubChem CID
- 98345
- DTXSID
DTXSID70863609- EC Number
- 227-231-1、690-251-8
- Nikkaji
- J44.177E
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
- 142
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 182 °C · 182°C(lit.)
- Density
- 0.937 g/cm3 · 0.9370 g/cm3
- vapor pressure
- 1.34 hPa · 1.34hPa at 20℃
- refractive index
- 1.437 · 1.4370-1.4400
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Viscosity
- 2.336 mm2/s · 2.336mm2/s
- Water Solubility
- 440 mg/L · 440mg/L at 20℃
- LogP
- 2.75 at · 2.75 at 20℃
- CAS DataBase Reference
- 5726 · 5726-19-2(CAS DataBase Reference)
- FDA UNII
- 3 AUW483O · DT3AUW483O
- NIST Chemistry Reference
- 2 · 2-Methylcyclohexyl acetate(5726-19-2)
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
This chemical does not meet GHS hazard criteria for 10% (1 of 10) of reports.
Warning
H315 (10%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Hazard information
Regulatory Information
Chemical: Cyclohexanol, 2-methyl-, acetate
REACH registered substance: 2-methylcyclohexyl acetate (EC: 227-231-1)
Hazard Classes and Categories
Skin Irrit. 2 (10%)
Not Classified
Safety data
- hs_code
- 2916200090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Suppliers98 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
楗桥化学（上海）有限公司13248325872 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海金易精细化工有限公司021-52801082 13918092929 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Aladdin Scientific
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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