CAS 109-56-8 2-(Isopropylamino)ethanol (HCID 7994)

Names & identifiers

Preferred name: 2-(Isopropylamino)ethanol
IUPAC: 2-(propan-2-ylamino)ethanol
English name: 2-(ISOPROPYLAMINO)ETHANOL
Molecular formula: C5H13NO
Molecular weight: 103.16

Names & synonyms

2-(Isopropylamino)ethanol109-56-82-IsopropylaminoethanolEthanol, 2-[(1-methylethyl)amino]-(N-Hydroxyethyl)isopropylamineN-IsopropylaminoethanolETHANOL, 2-(ISOPROPYLAMINO)-2-((1-Methylethyl)amino)ethanolEthanol, 2-((1-methylethyl)amino)-Y8L7KC6HUBAI3-24220NSC-1090

Show more names

IPEPAEDKSI178DKFELEX02642-Isopropylamino2-(isopropylamino)-ethano

DTXSID5059373RefChem:877412-(1-methylethyl)aminoethanolDTXCID0033126203-681-4N-IsopropylethanolamineIsopropylaminoethanolEthanolisopropylamine

Database identifiers

CAS: 109-56-8
PubChem CID: 7994
DTXSID: DTXSID5059373
UNII: Y8L7KC6HUB
EC Number: 203-681-4
Nikkaji: J78.152E

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 37

Physicochemical properties

Melting point: 15.85 °C · 15.85°C
Boiling point: 172 °C · 172 °C(lit.)
Density: 0.92 g/mL · 0.92 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.441(lit.)
Flash point: 78 °C · 78°C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Water Solubility: Soluble in water
form: clear liquid
pka: 14.79 · 14.79±0.10(Predicted)
color: Colorless to Almost colorless
BRN: 1633453 · 1633453
Henry's Law Constant: 1.1 · 1.1×102 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: InChI=1S/C5H13NO/c1-5(2)6-3-4-7/h5-7H,3-4H2,1-2H3
InChIKey: RILLZYSZSDGYGV-UHFFFAOYSA-N
SMILES: C(O)CNC(C)C
CAS DataBase Reference: 109 · 109-56-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 8 L7KC6HUB · Y8L7KC6HUB
EPA Substance Registry System: 2 · 2-(Isopropylamino)ethanol (109-56-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 21 · 21/22-36/37/38-41-52/53-37/38
Safety Statements: 26 · 26-36/37/39-45-61
RIDADR: 2735 · 2735
WGK Germany: 3 · 3
RTECS: 5080000 · KL5080000
TSCA: TSCA listed
HS Code: 2922.19 · 2922.19.9690
HazardClass: 8 · 8
PackingGroup: III
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
Toxicity: 50 · mouse,LD50,oral,1250mg/kg (1250mg/kg),Chemical and Pharmaceutical Bulletin. Vol. 31, Pg. 4116, 1983.

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: KL5080000
ridadr: 2735
hs_code: 2922.19.9690
Toxicity: mouse,LD50,oral,1250mg/kg (1250mg/kg),Chemical and Pharmaceutical Bulletin. Vol. 31, Pg. 4116, 1983.
risk_code: 21/22-36/37/38-41-52/53-37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-36/37/39-45-61
hazard_class: 8
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P501

Chemistry & industry

Applications · 3 items

Uses2-(Isopropylamino)ethanol may be used in the synthesis of heterocyclic N,O-acetals.

UsesSynthesis of emulsifiers.

General DescriptionAn amber to straw colored liquid. Slightly less dense than water. Flash point 150°F. May emit toxic oxides of nitrogen at high temperatures. Used to make other chemicals.

Upstream & downstream products

Downstream products

2-PropanaMine, N-(2-chloroethyl)-, hydrochloride CHEMBRDG-BB 9071613

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

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

Additional notes

DefinitionA commercial mixture of approximately 60% isopropylethanolamine ((CH3)2CHNHCH2CH2OH) and 40% isopropyldiethanolamine ((CH3)2CHN(CH2CH2OH).