CAS 56068-50-9 2,2-Dimethylhex-5-en-1-ol (HCID 10240821)

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Basic information

CAS: 56068-50-9
Standard SMILES: C=CCCC(C)(C)CO
InChIKey: WIYYDFSDWKBPIX-UHFFFAOYSA-N
Molecular formula: C8H16O
Average molar mass: 128.21 g/mol
Monoisotopic mass: 128.12011513

Names & identifiers

Preferred name: 2,2-Dimethylhex-5-en-1-ol
IUPAC: 2,2-dimethylhex-5-en-1-ol
English name: 2,2-dimethylhex-5-en-1-ol
Molecular formula: C8H16O
Molecular weight: 128.21

Names & synonyms

2,2-dimethylhex-5-en-1-ol56068-50-9DTXSID00437094RefChem:243577DTXCID90387918SCHEMBL733256WIYYDFSDWKBPIX-UHFFFAOYSA-NAKOS015900518SB84473DB-011919CS-0224911EN300-1217983

Show more names

2,2-Dimethyl-5-hexen-1-ol5-Hexen-1-ol, 2,2-dimethyl-

F646957F2147-6457

Database identifiers

CAS: 56068-50-9
PubChem CID: 10240821
DTXSID: DTXSID00437094
EC Number: 118-049-2
Nikkaji: J2.678.630D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 84

Physicochemical properties

Boiling point: 175 ℃ · 175℃
Density: 0.836 · 0.836
Flash point: 65 ℃ · 65℃

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.