2-Butanone, 4-diethylamino-

HCID 18694

Notes Reactions

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Basic information

CAS: 3299-38-5
Standard SMILES: CCN(CC)CCC(C)=O
InChIKey: XLEOCTUCGZANAC-UHFFFAOYSA-N
Molecular formula: C8H17NO
Average molar mass: 143.23 g/mol
Monoisotopic mass: 143.13101417

Names & identifiers

Preferred name: 2-Butanone, 4-diethylamino-
IUPAC: 4-(diethylamino)butan-2-one
English name: 1-DIETHYLAMINO-3-BUTANONE
Molecular formula: C8H17NO
Molecular weight: 143.23

Names & synonyms

4-(Diethylamino)butan-2-one3299-38-54-(Diethylamino)-2-butanone1-(Diethylamino)-3-butanone2-BUTANONE, 4-DIETHYLAMINO-4-(N,N-Diethylamino)butan-2-oneEINECS 221-970-3NSC 28042BRN 1746141DTXSID501866214-04-00-01930 (Beilstein Handbook Reference)RefChem:467400

Show more names

4-diethylamino-2-butanon4-DIETHYLAMINO-2-BUTANONE1-(Diethylamino)butan-3-one4-(Diethylamino)butane-2-one2-Butanone,4-(diethylamino)-1-Diethylamino-3-butanone 98%

DTXCID90109112221-970-31-Diethylamino-3-butanone2-Butanone, 4-(diethylamino)-5RZ7C7DP3QMFCD00009056NSC-28042NSC28042

Database identifiers

CAS: 3299-38-5
PubChem CID: 18694
DTXSID: DTXSID50186621
UNII: 5RZ7C7DP3Q
EC Number: 221-970-3
Nikkaji: J42.074C

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 97.4

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 82 · 82-84 °C
Boiling point: 76 · 76-78 °C/16 mmHg (lit.)
Density: 0.86 g/mL · 0.86 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.433(lit.)
Flash point: 110 °F · 110 °F
pka: 9.79 · 9.79±0.25(Predicted)
form: liquid
InChI: 1S/C8H17NO/c1-4-9(5-2)7-6-8(3)10/h4-7H2,1-3H3
InChIKey: XLEOCTUCGZANAC-UHFFFAOYSA-N
SMILES: CCN(CC)CCC(C)=O
CAS DataBase Reference: 3299 · 3299-38-5
FDA UNII: 5 RZ7C7DP3Q · 5RZ7C7DP3Q
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 1224 · UN 1224 3/PG 3
WGK Germany: 3 · 3
RTECS: 7525000 · EL7525000
HazardClass: 3.2 · 3.2
PackingGroup: III
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: EL7525000
ridadr: UN 1224 3/PG 3
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-36/37/39
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses1-Diethylamino-3-butanone was used in total synthesis of several steroidal hydrochrysene derivatives.

Upstream & downstream products

Upstream raw materials

(DIETHYLAMINO)METHANOL 1,3-Dimethyl-2,3-dihydro-1H-benzimidazole Imidazolidine, 1,3-dimethyl- (7CI,8CI,9CI)4-CHLORO-2-BUTANONE Diethylamine Methyl vinyl ketone Diethylamine hydrochloride Formaldehyde Acetone

Downstream products

Diethylacetamide

Suppliers36 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Aladdin Scientific[email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

Related reactions

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Compound notes

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