4-Chloro-2-methylbutan-2-ol

HCID 547765

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Basic information

CAS: 1985-88-2
Standard SMILES: CC(C)(O)CCCl
InChIKey: IODFUQIUARVWJV-UHFFFAOYSA-N
Molecular formula: C5H11ClO
Average molar mass: 122.59 g/mol
Monoisotopic mass: 122.04984265

Names & identifiers

Preferred name: 4-Chloro-2-methylbutan-2-ol
IUPAC: 4-chloro-2-methylbutan-2-ol
English name: 4-Chloro-2-methyl-2-butanol
Molecular formula: C5H11ClO
Molecular weight: 122.59

Names & synonyms

4-chloro-2-methylbutan-2-olRefChem:521139816-803-11985-88-24-Chloro-2-methyl-2-butanol2-Butanol, 4-chloro-2-methyl-MFCD098355574-Chlor-2-methylbutanol-2SCHEMBL3131268SCHEMBL31312764-chloro-2-methyl-butan-2-olSCHEMBL11756972

Show more names

DTXSID803382321-chloromethyl-2-methyl-2-propanolAKOS006327299SB84601BS-358194-Chloro-2-methyl-2-butanol, AldrichCPRDB-094794D86387

Database identifiers

CAS: 1985-88-2
PubChem CID: 547765
DTXSID: DTXSID80338232
EC Number: 816-803-1
Nikkaji: J3.179.995C

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 52

Physicochemical properties

Boiling point: 62 · 62-63 °C(Press: 14 Torr)
Density: 1.036 g/cm3 · 1.036 g/cm3
storage temp.: 2 · 2-8°C
solubility: Chloroform, Ethyl Acetate
form: Oil
pka: 14.87 · 14.87±0.29(Predicted)
color: Clear Colourless to Light Yellow
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 227 · H227-H302-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (66.7%): Combustible liquid [Warning Flammable liquids]

P210, P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P370+P378, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (66.7%)

Safety data

risk_code: 41
Signal word: Danger
Symbol(GHS): GHS07,GHS05
safety_code: 26-39
Hazard statements: H227-H302-H318
Precautionary statements: P280-P305+P351+P338-P310-P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501