Basic information
- Standard SMILES
COC(=O)C1CCOCC1- InChIKey
CNCMVGXVKBJYNU-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- 2H-Pyran-4-carboxylic acid, tetrahydro-, methyl ester
- IUPAC
- methyl oxane-4-carboxylate
- English name
- Methyl tetrahydropyran-4-carboxylate
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
110238-91-02H-PYRAN-4-CARBOXYLIC ACID, TETRAHYDRO-, METHYL ESTERRefChem:484407422-770-0600-952-2Methyl tetrahydropyran-4-carboxylateMethyl tetrahydro-2H-pyran-4-carboxylatemethyl oxane-4-carboxylateMFCD01075170SCHEMBL74560DTXSID00378519methyltetrahydropyran-4-carboxylate
Show more names
CAS:110238-91-02H-Pyran-4-carboxylic aciMethyl tetrahydropyran-4-...4-(Methoxycarbonyl)tetrahydropyranMethyl tetrahydro-2H-pyran-4- carboxylMethyltetrahydro-2H-pyran-4-carboxylatMethyl terahydro-2H-Pyran-4-Carboxylate
PS-3344TETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACID METHYL ESTERMethyl tetrahydro-2-H-pyran-4-carboxylateTETRAHYDROPYRAN-4-CARBOXYLIC ACID METHYL ESTERMethyltetrahydro-2H-pyran-4-carboxylateA2178SCHEMBL74559orb3030576
Database identifiers
- CAS
110238-91-0- PubChem CID
- 2773520
- DTXSID
DTXSID00378519- EC Number
- 422-770-0、600-952-2
- Nikkaji
- J1.650.219G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- -33 °C · -33°C
- Boiling point
- 197 °C · 197°C
- Density
- 1.08 g/mL · 1.080 g/mL at 20 °C(lit.)
- Flash point
- 86 °C · 86°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- color
- Clear
- BRN
- 114974 · 114974
- InChI
- 1S/C7H12O3/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3
- InChIKey
- CNCMVGXVKBJYNU-UHFFFAOYSA-N
- SMILES
- COC(=O)C1CCOCC1
- CAS DataBase Reference
- 110238 · 110238-91-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36-36/37/38
- Safety Statements
- 26 · 26-37/39
- RIDADR
- 1993 · 1993
- WGK Germany
- 2 · 2
- Hazard Note
- Harmful
- HS Code
- 29329990 · 29329990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 · Eye Irrit. 2
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (98.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Hazard information
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4718
Hazard Classes and Categories
Eye Dam. 1 (98.1%)
Eye Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- 1993
- hs_code
- 29329990
- risk_code
- 36-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H319
- REACH Registrations
- Inactive
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesMethyl tetrahydro-2H-pyran-4-carboxylate may be used in the following syntheses:cycloalkylamide derivativestetrahydro-2-furoic chloridetetrahydro-2H-pyran-4-carboxylic chloride
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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