1,2-Propanediol, 3-(dodecylamino)-

HCID 102496

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 821-91-0
Standard SMILES: CCCCCCCCCCCCNCC(O)CO
InChIKey: VWGWFMQZURGKKK-UHFFFAOYSA-N
Molecular formula: C15H33NO2
Average molar mass: 259.43 g/mol
Monoisotopic mass: 259.2511293

Names & identifiers

Preferred name: 1,2-Propanediol, 3-(dodecylamino)-
IUPAC: 3-(dodecylamino)propane-1,2-diol
English name: 3-(dodecylamino)propane-1,2-diol
Molecular formula: C15H33NO2
Molecular weight: 259.43

Names & synonyms

3-(Dodecylamino)propane-1,2-diol821-91-01,2-Propanediol, 3-(dodecylamino)-EINECS 212-482-1N-(2,3-Dihydroxypropyl)dodecylamineDTXSID70862430RefChem:412161DTXCID80811196212-482-13-(Dodecylamino)-1,2-propanediolMFCD001281373-dodecylamino-1,2-propanediol

Show more names

orb2664710orb2900306SCHEMBL38378503-Laurylamino-1,2-Dihydroxy-PropaneAKOS015512431N-(2,3-dihydroxypropyl)-dodecylamineN-(2,3-dihydroxypropyl)-N-dodecylamineDB-322557

Database identifiers

CAS: 821-91-0
PubChem CID: 102496
DTXSID: DTXSID70862430
EC Number: 212-482-1
Nikkaji: J193.217I

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 52.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 14
Heavy atoms: 18
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 76 · 76.0-76.5 °C
Boiling point: 396.6 · 396.6±27.0 °C(Predicted)
Density: 0.925 · 0.925±0.06 g/cm3(Predicted)
pka: 14.06 · 14.06±0.20(Predicted)
Cosmetics Ingredients Functions: SURFACTANT - EMULSIFYINGSURFACTANT - CLEANSINGCLEANSING
EPA Substance Registry System: 1 · 1,2-Propanediol, 3-(dodecylamino)- (821-91-0)
Symbol(GHS): 7 · GHS07,GHS05,GHS09
Signal word: Danger
Hazard statements: 410 · H410-H400-H318-H302
Precautionary statements: 273 · P273-P391-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P273-P391-P501
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 441 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 1,2-Propanediol, 3-(dodecylamino)-

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS07,GHS05,GHS09
Hazard statements: H410-H400-H318-H302
Precautionary statements: P273-P391-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P273-P391-P501