2-Amino-2-ethyl-1,3-propanediol

HCID 8282CAS 115-70-8

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Basic information

Standard SMILES: CCC(N)(CO)CO
InChIKey: IOAOAKDONABGPZ-UHFFFAOYSA-N
Molecular formula: C5H13NO2
Average molar mass: 119.16 g/mol
Monoisotopic mass: 119.09462866

Names & identifiers

Preferred name: 2-Amino-2-ethyl-1,3-propanediol
IUPAC: 2-amino-2-ethylpropane-1,3-diol
English name: 2-Amino-2-ethyl-1,3-propanediol
Molecular formula: C5H13NO2
Molecular weight: 119.16

Names & synonyms

115-70-82-AMINO-2-ETHYL-1,3-PROPANEDIOL1,3-Propanediol, 2-amino-2-ethyl-Aminoethyl propanediol2-Amino-2-ethylpropanediolDTXSID3029150NSC 8803EINECS 204-101-2AEPD-85UNII-0ADF1987D42-Amino-1,3-dihydroxy-2-ethylpropaneAI3-03358

Show more names

AEPDAEDPJACS-115-70-82-amino-2-ethyl-2-Ethyl-2-aminopropanediol2-amino-2-ethyl-3-propanediol

0ADF1987D4NSC-8803DTXCID609150EC 204-101-22-AMINO-2-ETHYL-1,3-PROPANEDIOL [MI]RefChem:85080AMINOETHYL PROPANEDIOL [INCI]InChI=1/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H

Database identifiers

CAS: 115-70-8
PubChem CID: 8282
DTXSID: DTXSID3029150
ChEMBL: CHEMBL119482
UNII: 0ADF1987D4
EC Number: 204-101-2
Nikkaji: J35.182B

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 61

Physicochemical properties

Melting point: 35 · 35-37°C
Boiling point: 152 · 152-153 °C (10 mmHg)
Density: 1.099 · 1.099
vapor pressure: 0.29 Pa · 0.29Pa at 25℃
refractive index: 1.4851 · 1.4851-1.4871
Flash point: 152 · 152-153°C/10mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Viscous Liquid
pka: 12.27 · 12.27±0.20(Predicted)
color: Clear yellow
Water Solubility: soluble
Sensitive: Hygroscopic
Merck: 14 · 14,439
Henry's Law Constant: 7.1 · 7.1×102 mol/(m3Pa) at 25℃, Du et al. (2017)
Cosmetics Ingredients Functions: BUFFERING
Cosmetic Ingredient Review (CIR): 2 · 2-Amino-2-ethyl-1,3-propanediol (115-70-8)
LogP: -1.02 at · -1.02 at 20℃
CAS DataBase Reference: 115 · 115-70-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 0 ADF1987D4 · 0ADF1987D4
NIST Chemistry Reference: 2 · 2-Amino-2-ethyl-1,3-propanediol(115-70-8)
EPA Substance Registry System: 1 · 1,3-Propanediol, 2-amino-2-ethyl- (115-70-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H402
Precautionary statements: 264 · P264-P273-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Hazard Codes: Xi,Xn
Risk Statements: 41 · 41-36/37/38-22
Safety Statements: 37 · 37/39-26-36/37
TSCA: TSCA listed
HS Code: 29221985 · 29221985
REACH Registrations: Active

Safety & regulation

Safety data

tsca: TSCA listed
hs_code: 29221985
risk_code: 41-36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 37/39-26-36/37
Hazard statements: H315-H319-H402
REACH Registrations: Active
Precautionary statements: P264-P273-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P280a-P305+P351+P338-P321-P332+P313-P337+P313