Basic information
- CAS
3587-64-2- Standard SMILES
COCC(C)(C)O- InChIKey
MXUXZWFVAPTPAG-UHFFFAOYSA-N- Molecular formula
- C5H12O2
- Average molar mass
- 104.15 g/mol
- Monoisotopic mass
- 104.08372962
Names & identifiers
- Preferred name
- 2-Propanol, 1-methoxy-2-methyl-
- IUPAC
- 1-methoxy-2-methylpropan-2-ol
- English name
- 1-METHOXY-2-METHYL-2-PROPANOL
- Molecular formula
- C5H12O2
- Molecular weight
- 104.15
Names & synonyms
1-Methoxy-2-methyl-2-propanol3587-64-22-Propanol, 1-methoxy-2-methyl-1,1-Dimethyl-2-methoxyethanolDTXSID90189419RefChem:89174DTXCID70111910609-188-4MXUXZWFVAPTPAG-UHFFFAOYSA-N1-methoxy-2-methylpropan-2-olMFCD037015841-methoxy-2-methyl-propan-2-ol
Show more names
2-(Methoxymethyl)-2-propanol2-Methoxy-1,1-dimethylethanol2-(Methoxymethyl)propane-2-ol1-Methoxy-2-methylpropane-2-ol1-METHOXY-2-METHYL-2-PROPANOL, 98+%1-METHOXY-2-METHYL-2-PROPANOL, 99+%
SCHEMBL38182SCHEMBL38183SCHEMBL8473835SCHEMBL9864199SCHEMBL133413501-Methoxy-2-methyl-2-propanol #AR-1E1397AKOS009461696
Database identifiers
- CAS
3587-64-2- PubChem CID
- 77137
- DTXSID
DTXSID90189419- EC Number
- 609-188-4
- Nikkaji
- J100.764E
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 50
Experimental & physicochemical properties
SpringerMaterials PropertiesViscosity
Physicochemical properties
- Boiling point
- 115 · 115-116 °C (lit.)
- Density
- 0.892 g/mL · 0.892 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4044(lit.)
- Flash point
- 82 °F · 82 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- pka
- 14.56 · 14.56±0.29(Predicted)
- color
- Clear colorless
- InChI
- 1S/C5H12O2/c1-5(2,6)4-7-3/h6H,4H2,1-3H3
- InChIKey
- MXUXZWFVAPTPAG-UHFFFAOYSA-N
- SMILES
- COCC(C)(C)O
- LogP
- 0.069 · 0.069 (est)
- CAS DataBase Reference
- 3587 · 3587-64-2
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29094980
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers43 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
Related reactions
2 records
Compound notes
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