Basic information
- CAS
4717-96-8- Standard SMILES
CC1CCOCC1- InChIKey
OVRKATYHWPCGPZ-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- Tetrahydro-4-methyl-2H-pyran
- IUPAC
- 4-methyloxane
- English name
- tetrahydro-4-methyl-2H-pyran
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
Tetrahydro-4-methyl-2H-pyran4717-96-84-methyltetrahydro-2H-pyran2H-pyran, tetrahydro-4-methyl-EINECS 225-207-5DTXSID10197056RefChem:897133DTXCID20119547225-207-5InChI=1/C6H12O/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H4-methyloxane4-methyltetrahydropyran
Show more names
tetrahydro-4-methyl-2H-pyran 4717-96-8
MFCD07783308Tetrahydro-4-methylpyran4-Methyl-tetrahydro-pyranetetrahydro--ethyl-2H-yranPyran, tetrahydro-4-methyl-3,4,5,6-Tetrahydro-4-methyl-2H-pyran4-Methyltetrahydropyran (stabilized with BHT)4-methyl-tetrahydropyran
Database identifiers
- CAS
4717-96-8- PubChem CID
- 78446
- DTXSID
DTXSID10197056- UNII
- TS4U6NTM6X
- EC Number
- 225-207-5
- Nikkaji
- J246.003C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 46.1
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 105 °C · 105 °C
- Density
- 0.8569 g/cm3 · 0.8569 g/cm3
- vapor pressure
- 30 hPa · 30hPa at 20℃
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- 19.2 g/L · 19.2g/L at 20℃
- InChI
- InChI=1S/C6H12O/c1-6-2-4-7-5-3-6/h6H,2-5H2,1H3
- InChIKey
- OVRKATYHWPCGPZ-UHFFFAOYSA-N
- SMILES
- C1OCCC(C)C1
- LogP
- 1.9 · 1.9-2.1 at 25-35℃
- FDA UNII
- 4 U6NTM6X · TS4U6NTM6X
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
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
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 8 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.
REACH registered substance: Tetrahydro-4-methyl-2H-pyran (EC: 225-207-5)
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H225
- REACH Registrations
- Active
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Pyran, tetrahydro-4-methyl-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers37 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
济南腾源化工科技有限公司0531-88062576 13791023792 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
Related reactions
74 records
Compound notes
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