Basic information
- CAS
14352-61-5- Standard SMILES
COC(=O)CC1CCCCC1- InChIKey
IMXBRVLCKXGWSS-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Cyclohexaneacetic acid, methyl ester
- IUPAC
- methyl 2-cyclohexylacetate
- English name
- Methyl cyclohexaneacetate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
14352-61-5Methyl cyclohexylacetateCyclohexaneacetic acid, methyl esterEC 700-789-8NSC 68511RefChem:580497700-789-8methyl 2-cyclohexylacetateMethylcyclohexylacetateMethyl cyclohexaneacetateMFCD00001516SCHEMBL106265
Show more names
Methyl cyclohexylacetate 99%Cyclohexaneacetic acid methyl2-Methylcyclohexylacetate=2MCHAAceticacid2-methylcyclohexylester,stereoisomerMethyl cyclohexylacetate,Methyl cyclohexaneacetate
Methyl cyclohexylacetate, 99%NSC68511NSC-68511EN300-783056Cyclohexyl acetic acid methyl esterCYCLOHEXYLACETIC ACID METHYL ESTERmethyl cyclohexyl acetateFT-0747415
Database identifiers
- CAS
14352-61-5- PubChem CID
- 139743
- DTXSID
DTXSID60162451- EC Number
- 700-789-8
- Nikkaji
- J45.114B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 201 °C · 201 °C (lit.)
- Density
- 0.951 g/mL · 0.951 g/mL at 25 °C (lit.)
- vapor pressure
- 46 · 46-84Pa at 20℃
- refractive index
- 20 · n20/D 1.446(lit.)
- Flash point
- 166 °F · 166 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- 0.3 g/L · water: soluble0.3g/L at 30°C
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- Odor
- 100 % · at 100.00 %. fruity tropical banana mango pineapple honey
- Odor Type
- fruity
- Water Solubility
- 0.3 g/L · water: soluble 0.3g/L at30°C
- Cosmetics Ingredients Functions
- FRAGRANCE
- InChI
- InChI=1S/C9H16O2/c1-11-9(10)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3
- InChIKey
- IMXBRVLCKXGWSS-UHFFFAOYSA-N
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
H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 04-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/7077
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 38-43-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,N
- safety_code
- 36/37-61
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H317-H412
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 3Skin Irrit. 2Skin Sens. 1
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexaneacetic acid, methyl ester: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers62 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司
Related reactions
24 records
Compound notes
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