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HCID 19787Erstellt: 4. November 2026

Hexyldihydrogenphosphat

Hexyl phosphate · MONOHEXYLPHOSPHATE · MONO-N-HEXYLPHOSPHATE · hexyl dihydrogen phosphate · Orthophosphoric acid hexyl ester · PHOSPHORICACID,MONO-N-HEXYLESTER · Phosphoric acid, monohexyl ester · Phosphoric acid dihydrogen hexyl ester

https://huagongshe.com/de/chemical/19787

Molekülstruktur von Hexyldihydrogenphosphat

Identifikatoren & physikalische Daten

CAS No.	3900-04-7
Summenformel	C6H15O4P
Durchschnittliche Molmasse	182,15 g/mol
Monoisotopische Masse	182,07079595 g/mol
SMILES	CCCCCCOP(=O)(O)O
InChIKey	PHNWGDTYCJFUGZ-UHFFFAOYSA-N
PubChem CID	19787
EC No.	223-451-7
DTXSID	DTXSID50863288
Lokaler Name	Hexyldihydrogenphosphat

Chemische & physikalische Eigenschaften

XLogP	0,8
Polarare Oberfläche (TPSA)	66,8
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	6
Schwere Atome	11
Formalladung	0
Komplexität	131
Stoffklassen	Other Classes -> Organophosphates, Other
Siedepunkt	299.6±23.0 °C(Predicted)
Dichte	1.189±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	1.97±0.10(Predicted)
EPA chemische Informationen	Monohexyl phosphate (3900-04-7)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 1% (1 of 105) of reports.DangerH314 (99%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P273, 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 105 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Phosphoric acid, monohexyl esterPhosphoric acid, monohexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
TSCA-Anforderungen	Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Phosphoric acid, monohexyl ester is included on this list.
Hazard Classes and Categories	Skin Corr. 1B (99%)
Entsorgungsverfahren	SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
TSCA-Inventar-Status	TSCA listed
Gefahrstoffdaten	3900-04-7(Hazardous Substances Data)

CAS No.

3900-04-7

Summenformel

C6H15O4P

Durchschnittliche Molmasse

182,15 g/mol

Monoisotopische Masse

182,07079595 g/mol

SMILES

CCCCCCOP(=O)(O)O

InChIKey

PHNWGDTYCJFUGZ-UHFFFAOYSA-N

PubChem CID

19787

EC No.

223-451-7

DTXSID

DTXSID50863288

Lokaler Name

Hexyldihydrogenphosphat

Chemische & physikalische Eigenschaften

XLogP

0,8

Polarare Oberfläche (TPSA)

66,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

131

Stoffklassen

Other Classes -> Organophosphates, Other

Siedepunkt

299.6±23.0 °C(Predicted)

Dichte

1.189±0.06 g/cm3(Predicted)

pKa (Säurekonstante)

1.97±0.10(Predicted)

EPA chemische Informationen

Monohexyl phosphate (3900-04-7)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 1% (1 of 105) of reports.DangerH314 (99%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P273, 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 105 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

Chemical: Phosphoric acid, monohexyl esterPhosphoric acid, monohexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

TSCA-Anforderungen

Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Phosphoric acid, monohexyl ester is included on this list.

Hazard Classes and Categories

Skin Corr. 1B (99%)

Entsorgungsverfahren

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

TSCA-Inventar-Status

TSCA listed

Gefahrstoffdaten

3900-04-7(Hazardous Substances Data)