2-Pentanone, 5-(diethylamino)-

df493 · DF 493 · Novolketon · Novalketone · NOVOL KETONE · 5-diethylaminopentan-2-one · 5-DIETHYLAMINO-2-PENTANONE · 5-Diethylaminopentane-2-one

Identifiers & Physical Properties

CAS No.	105-14-6
Molecular formula	C9H19NO
Average molar mass	157.25 g/mol
Monoisotopic mass	157.14666423 g/mol
SMILES	CCN(CC)CCCC(C)=O
InChIKey	GRGNJBKJCVOFEO-UHFFFAOYSA-N
PubChem CID	7739
EC No.	203-274-1
DTXSID	DTXSID2021862

XLogP	1
Topological polar surface area	20.3
Hydrogen bond donors	0
Hydrogen bond acceptors	2
Rotatable bonds	6
Heavy atoms	11
Formal charge	0
Complexity	108
Boiling point	83-85 °C15 mm Hg(lit.)
Density	0.861 g/mL at 25 °C(lit.)
Refractive index	n20/D 1.434(lit.)
Flash point	150 °F
Storage conditions	2-8°C
pKa (acidity coefficient)	10.27±0.25(Predicted)
CAS DataBase Reference	105-14-6(CAS DataBase Reference)
FDA UNII	7T3TWL8CA7
NIST Chemistry Reference	2-Pentanone, 5-(diethylamino)-(105-14-6)
EPA Substance Registry System	5-Diethylamino-2-pentanone (105-14-6)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard symbols	Xi
Risk statements (R)	36/37/38
Safety statements (S)	26-36/37/39
Water hazard class (WGK)	3
RTECS number	SA8400000
Toxicity	LD50 ivn-mus: 190 mg/kg AIPTAK 145,233,63

GHS classification	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Protective Action Criteria (PAC)	0.62 [mg/m3]6.9 [mg/m3]41 [mg/m3]
Water hazard class (WGK)	3
RTECS number	SA8400000
Toxicity	LD50 ivn-mus: 190 mg/kg AIPTAK 145,233,63
Risk statements (R)	36/37/38
Signal word	Warning
GHS pictogram	GHS07
Hazard symbols	Xi
Safety statements (S)	26-36/37/39
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Pharmaceuticals.