2-(Dimethylamino)-2-methylpropanal

HCID 231652

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Basic information

CAS: 16042-92-5
Standard SMILES: CN(C)C(C)(C)C=O
InChIKey: HQVOWZWVYHHPHA-UHFFFAOYSA-N
Molecular formula: C6H13NO
Average molar mass: 115.17 g/mol
Monoisotopic mass: 115.09971404

Names & identifiers

Preferred name: 2-(Dimethylamino)-2-methylpropanal
IUPAC: 2-(dimethylamino)-2-methylpropanal
English name: 2-(dimethylamino)-2-methylpropanal
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

2-(dimethylamino)-2-methylpropanal16042-92-5DTXSID40282823RefChem:253810DTXCID20233974836-488-4MFCD19300711Propanal, 2-(dimethylamino)-2-methyl-NSC28116SCHEMBL299989SCHEMBL2195812HQVOWZWVYHHPHA-UHFFFAOYSA-N

Show more names

Pentanoylchloride,6-propyl-

2-(dimethylamino)-2-methyl-propanalNSC-28116AKOS022504421BS-52575SY359200DB-121782E83311EN300-258570

Database identifiers

CAS: 16042-92-5
PubChem CID: 231652
DTXSID: DTXSID40282823
EC Number: 836-488-4

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 86

Physicochemical properties

Boiling point: 126 · 126-129 °C
Density: 0.8817 g/cm3 · 0.8817 g/cm3
pka: 7.77 · 7.77±0.50(Predicted)
Symbol(GHS): 2 · GHS02,GHS07,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H302-H335-H318-H315
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS07,GHS05
Hazard statements: H226-H302-H335-H318-H315
Precautionary statements: P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501