Hexadecyldihydrogenphosphat

Hexadecyl phosphate

HCID 19059CAS 3539-43-3

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCCCOP(=O)(O)O
InChIKey: ZUVCYFMOHFTGDM-UHFFFAOYSA-N
Summenformel: C16H35O4P
Durchschnittliche Molmasse: 322,42 g/mol
Monoisotopische Masse: 322,22729623

Überblick

The CIR Expert Panel concluded the following 28 alkyl phosphates are safe in the present practices of use and concentration in cosmetics when formulated to be non-irritating...Cetyl Phosphate...

Namen und Bezeichner

Bevorzugter Name: Hexadecyl phosphate
IUPAC: hexadecyl dihydrogen phosphate
Lokaler Name: Hexadecyldihydrogenphosphat
Englischer Name: AMPHISOL A
Summenformel: C16H35O4P
Molmasse: 322.42

Namen und Synonyme

Hexadecyl dihydrogen phosphate3539-43-3Hexadecyl phosphateCETYL PHOSPHATE1-Hexadecanol, dihydrogen phosphateHostaphat CC 100VT07D6X67OMACKESTER CEPCRODAFOS MCADTXSID1045039RefChem:786052DTXCID9025039

Weitere Namen anzeigen

Cetyl Phosphate (AMPHISOL A)cetylphosphatehexadecylphosphatecethylphosphoric esterMONO-N-HEXADECYLPHOSPHATEHexadecyldihydrogenphosphatZUVCYFMOHFTGDM-UHFFFAOYSA-NPHOSPHORICMONOHEXADECYL ESTER

222-581-1AMPHISOL Amonocetyl phosphate1-Hexadecanol,1-(dihydrogen phosphate)cetyl dihydrogen phosphateUNII-VT07D6X67OPhosphoric acid monohexadecyl esterEINECS 222-581-1

Datenbank-Bezeichner

CAS: 3539-43-3
PubChem CID: 19059
DTXSID: DTXSID1045039
ChEMBL: CHEMBL479322
UNII: VT07D6X67O
EC Number: 222-581-1
Nikkaji: J216.184B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,2
Polarare Oberfläche (TPSA): 66,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 16
Schwere Atome: 21
Formalladung: 0
Komplexität: 253

Experimentelle und physikochemische Eigenschaften

Cosmetics · 2 Einträge

Cosmetic ingredients (Cetyl Phosphate) -> CIR (Cosmetic Ingredient Review)

Emulsifying

Physical DescriptionDry Powder; Liquid

Physikochemische Eigenschaften

Schmelzpunkt: 71 °C · 71 °C
Siedepunkt: 439.8 · 439.8±28.0 °C(Predicted)
Dichte: 1.013 · 1.013±0.06 g/cm3(Predicted)
Dampfdruck: 0.146 Pa · 0.146Pa at 25℃
pka: 1.95 · 1.95±0.10(Predicted)
Geruch (Odor): 100 % · at 100.00%. bland
Wasserlöslichkeit: 1 mg/L · 1mg/L at 25℃
Kosmetik-Inhaltsstoffe Funktionen: SURFACTANT - CLEANSINGSURFACTANT - EMULSIFYING
InChI: InChI=1S/C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)
InChIKey: ZUVCYFMOHFTGDM-UHFFFAOYSA-N
SMILES: C(OP(O)(O)=O)CCCCCCCCCCCCCCC
LogP: 6.65 at · 6.65 at 25℃
EPA chemische Informationen: 1 · 1-Hexadecanol, dihydrogen phosphate (3539-43-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 14.6% (6 of 41) of reports.

Danger

H315 (70.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 1-Hexadecanol, dihydrogen phosphate

1-Hexadecanol, 1-(dihydrogen phosphate) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexadecanol, 1-(dihydrogen phosphate) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 29-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/29649

1-Hexadecanol, dihydrogen phosphate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (70.7%)

Toxikologische Informationen

Toxicity Summary · 2 Einträge

The CIR Expert Panel concluded the following 28 alkyl phosphates are safe in the present practices of use and concentration in cosmetics when formulated to be non-irritating...Cetyl Phosphate...

Safe for use in cosmetics, with qualifications