4-(Dimethylamino)butan-1-ol

HCID 83350

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 13330-96-6
Standard SMILES: CN(C)CCCCO
InChIKey: QCTOLMMTYSGTDA-UHFFFAOYSA-N
Molecular formula: C6H15NO
Average molar mass: 117.19 g/mol
Monoisotopic mass: 117.1153641

Names & identifiers

Preferred name: 4-(Dimethylamino)butan-1-ol
IUPAC: 4-(dimethylamino)butan-1-ol
English name: 4-Dimethylamino-1-butanol
Molecular formula: C6H15NO
Molecular weight: 117.19

Names & synonyms

4-(Dimethylamino)butan-1-olEINECS 236-380-1DTXSID20158052NSC 165645RefChem:515970DTXCID4080543236-380-113330-96-64-Dimethylamino-1-butanol4-(Dimethylamino)-1-butanol1-Butanol, 4-(dimethylamino)-4-Dimethylaminobutan-1-ol

Show more names

dimethylaminobutanol4-DIMETHYLAMINO BUTANOL-14-DIMETHYLAMINO-1-BUTANOL 98%4-Dimethylamino-1-butanol >4-DIMETHYLAMINO-1-BUTANOL USP/EP/BP

MFCD00020624SCHEMBL94134-(N,N-dimethylamino)butanol4-(N,N-dimethylamino]butan-1-olCS-W022016D1659O11091EN300-1852954

Database identifiers

CAS: 13330-96-6
PubChem CID: 83350
DTXSID: DTXSID20158052
EC Number: 236-380-1
Nikkaji: J208.391D

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 45

Physicochemical properties

Boiling point: 188 °C · 188°C
Density: 0 · 0,88 g/cm3
refractive index: 1.439 · 1.4390-1.4420
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
pka: 15.13 · 15.13±0.10(Predicted)
color: Colorless to Almost colorless
InChI: InChI=1S/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKey: QCTOLMMTYSGTDA-UHFFFAOYSA-N
SMILES: C(O)CCCN(C)C
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 3
WGK Germany: 3 · 3
F: 10 · 10-34
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2922190090 · 2922190090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

F: 10-34
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2735 8/PG 3
hs_code: 2922190090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405