CAS 624-97-5 2-Methyl-4-penten-2-ol (HCID 136440)

Substructure search Find similar structures

Basic information

CAS: 624-97-5
Standard SMILES: C=CCC(C)(C)O
InChIKey: UYOPRNGQFQWYER-UHFFFAOYSA-N
Molecular formula: C6H12O
Average molar mass: 100.16 g/mol
Monoisotopic mass: 100.088815

Names & identifiers

Preferred name: 2-Methyl-4-penten-2-ol
IUPAC: 2-methylpent-4-en-2-ol
English name: 2-Methyl-4-penten-2-ol
Molecular formula: C6H12O
Molecular weight: 100.16

Names & synonyms

2-Methyl-4-penten-2-ol624-97-54-Penten-2-ol, 2-methyl-CH2=CHCH2C(CH3)2OH4-Pentene-2-ol, 2-methylDimethylallylcarbinol4-Pentene-2-ol, 2-methyl-UNII-38Q68G43134-methyl-1-penten-4-olALLYLDIMETHYLCARBINOL1-Pentene-4-ol, 4-methyl38Q68G4313

Show more names

2-METHYL-4-PENTEN-2-OL, 97%

DTXSID702114642-METHYL-4-PENTENE-2-OL1,1-DIMETHYL-3-BUTEN-1-OL4,4-DIMETHYL-1-BUTEN-4-OLRefChem:88147DTXCID70133955UYOPRNGQFQWYER-UHFFFAOYSA-N2-methylpent-4-en-2-ol

Database identifiers

CAS: 624-97-5
PubChem CID: 136440
DTXSID: DTXSID70211464
UNII: 38Q68G4313
EC Number: 620-963-6
Nikkaji: J96.154J

Properties

Computed structural properties

XLogP: 1.3
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: 64.6

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: -73 °C · -73 °C
Boiling point: 118 · 118-120 °C
Density: 0.83553 g/cm3 · 0.83553 g/cm3(Temp: 17 °C)
solubility: soluble in Acetone, Dichloromethane, THF
form: liquid
pka: 15.17 · 15.17±0.29(Predicted)
color: Clear, faint yellow
FDA UNII: 38 Q68G4313 · 38Q68G4313
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H318-H335-H302+H332-H315
Precautionary statements: 210 · P210-P301+P312-P302+P352-P362+P364
HS Code

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2905299090
Signal word: Danger
Symbol(GHS): GHS02,GHS05
Hazard statements: H226-H318-H335-H302+H332-H315
Precautionary statements: P210-P301+P312-P302+P352-P362+P364

Chemistry & industry

Applications · 1 item

UsesAllyldimethylcarbino is an intermediate in synthesizing 4-Chloro-4-methyl-1-pentene (C364020), which affects the surface modification of Kevlar stitch threads on mechanical interfacial properties of carbon fiber and bismaleimide stitched composites.