CAS 623-57-4 3-(Dimethylamino)-1,2-propanediol (HCID 79078)

Names & identifiers

Preferred name: 3-(Dimethylamino)-1,2-propanediol
IUPAC: 3-(dimethylamino)propane-1,2-diol
English name: 3-Dimethylaminopropane-1,2-diol
Molecular formula: C5H13NO2
Molecular weight: 119.16

Names & synonyms

3-(Dimethylamino)-1,2-propanediol3-Dimethylaminopropane-1,2-diol1,2-Propanediol, 3-(dimethylamino)-Dimethylamino-2,3-propanediolUNII-054QW4ZAMU054QW4ZAMU1-Dimethylamino-2,3-propanediolNSC 8655EINECS 210-802-4METHICOLAI3-15482NSC-8655

Show more names

UNII:054QW4ZAMU3-(Dimethylamino)-1,2-Propaned3-(dimethylamino)-2-propanediolγ-Dimethylaminopropylene glycolN,N-DIMETHYL-3-AMINO-1,2-PROPANEDIOL3-(Dimethylamino)-1,2-propanediol>

QCMHUGYTOGXZIW-UHFFFAOYSA-DTXSID708835091,2-DIHYDROXY-3-(DIMETHYLAMINO)PROPANERefChem:92624DTXCID601023037(+-)-3-(DIMETHYLAMINO)-1,2-PROPANEDIOL3-(DIMETHYLAMINO)-1,2-PROPANEDIOL, (+-)-InChI=1/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3

Database identifiers

CAS: 623-57-4
PubChem CID: 79078
DTXSID: DTXSID70883509
ChEMBL: CHEMBL26920
UNII: 054QW4ZAMU
EC Number: 210-802-4
Nikkaji: J137.967D

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 43.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 56.4

Physicochemical properties

Boiling point: 216 · 216-217 °C(lit.)
Density: 1.004 g/mL · 1.004 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4609(lit.)
Flash point: 221 °F · 221 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: clear liquid
pka: 14.13 · 14.13±0.20(Predicted)
Specific Gravity: 1.001 · 1.001.004
color: Colorless to Light yellow
Henry's Law Constant: 6.7 · 6.7×102 mol/(m3Pa) at 25℃, Du et al. (2017)
Stability: Stable. Incompatible with oxidizing agents, acids.
InChI: InChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3
InChIKey: QCMHUGYTOGXZIW-UHFFFAOYSA-N
SMILES: C(O)C(O)CN(C)C
CAS DataBase Reference: 623 · 623-57-4(CAS DataBase Reference)
FDA UNII: 54 QW4ZAMU · 054QW4ZAMU
NIST Chemistry Reference: 1 · 1,2-Propanediol, 3-(dimethylamino)-(623-57-4)
EPA Substance Registry System: 1 · 1,2-Propanediol, 3-(dimethylamino)- (623-57-4)
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: 23 · 23-26-27-36/37/39-45
RIDADR: 3267 · UN 3267 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2922190090 · 2922190090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3267 8/PG 2
hs_code: 2922190090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 23-26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Propanediol, 3-(dimethylamino)-: ACTIVE

Applications

Uses3-(Dimethylamino)-1,2-propanediol was used in the preparation of:synthetic cationic lipid, N-[1-(2,3-dioleyloxy)propyl-N,N,N-trimethylammonium chloride (DOTMA), used in DNA-transfection protocolindane-derived bis(oxazolines)