Polyethylene glycol nonylphenyl ether sulfate ammonium salt

HCID 24778CAS 30416-77-4

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCCCCCCc1ccc(OCCOCCOCCOCCOS(=O)(=O)[O-])cc1.[NH4+]
InChIKey: XMRUJYGYYCLRGJ-UHFFFAOYSA-N
Molecular formula: C23H43NO8S
Average molar mass: 493.7 g/mol
Monoisotopic mass: 493.27093834

Names & identifiers

Preferred name: Polyethylene glycol nonylphenyl ether sulfate ammonium salt
IUPAC: azanium 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethyl sulfate
English name: poly(Ethyleneglycol)nonylphenyletherammoniumsulfate
Molecular formula: C54H80N2O8S
Molecular weight: 917.2866

Names & synonyms

Alipal EPNikkol SNPNewcol 560SFFenopon CO 436Fenopon EP 110Fenopon EP 120Hitenol N 093Alipal CO 436Alipal EP 110Alipal EP 120AMMONIUM NONOXYNOL-4-SULFATECO 436

Show more names

ammonium nonoxynol sulfatePEGnonylphenyletherammoniumsulfatePoly(Ethylene glycol) nonylphenyl ether ammoniumpoly(Ethyleneglycol)nonylphenyletherammoniumsulfateSulfated nonylphenyl ether of tetraethyleneglycol ammonium sAMMONIUM ALPHA-SULFO-OMEGA-(NONYLPHENOXY) POLY(OXY-1,2-ETHANEDIYL)Poly(oxy-1,2-ethanediyl),a-sulfo-w-(nonylphenoxy)-, aMMoniuM salt(1:1)Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(nonylphenoxy)-, ammonium salt

8Y8LQ8CRCC9051-57-4RefChem:1096500DTXSID9092034930416-77-4Alipal HF-433HSDB 2687EINECS 250-188-5

Database identifiers

CAS: 30416-77-4、9051-57-4
PubChem CID: 24778
DTXSID: DTXSID201351260
EC Number: 250-188-5、618-573-6

Properties

Computed structural properties

Topological polar surface area: 113 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 21
Heavy atoms: 33
Formal charge: 0
Complexity: 487

Experimental & physicochemical properties

Chemical ClassesOther Uses -> Emulsifiers/Surfactants

FragrancesFragrance Ingredient (Poly(oxy-_1,_2-_ethanediyl)_, _-_sulfo-__-_(nonylphenoxy)_-_, ammonium salt (1:1)) -> IFRA transparency List

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionClear yellow liquid; [MSDSonline]

Physicochemical properties

LogP: 5.435 · 5.435 (est)
FDA UNII: 8 Y8LQ8CRCC · 8Y8LQ8CRCC
EPA Substance Registry System: Polyethylene glycol nonylphenyl ether sulfate ammonium salt (9051-57-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P
TSCA: TSCA listed
Hazardous Substances Data: 9051 · 9051-57-4(Hazardous Substances Data)
Toxicity: 50 orl-rat: · LD50 orl-rat: 8 g/kg FMCHA2 -,C15,91

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.7% (27 of 1006) of reports.

Danger

H226 (20.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1006 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Hazard information

Regulatory Information · 3 items

Chemical: Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(nonylphenoxy)-, ammonium salt

FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.

Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(nonylphenoxy)-, ammonium salt: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Nonylphenol and octylphenol ethoxylates and related compounds: Human health tier II assessment

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and Categories · 2 items

Flam. Liq. 3 (20.3%)

Acute toxicity (ingestion) - category 4

Safety data

tsca: TSCA listed
Toxicity: LD50 orl-rat: 8 g/kg FMCHA2 -,C15,91
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P
Hazardous Substances Data: 9051-57-4(Hazardous Substances Data)

Chemistry & industry

Uses & manufacturing

Uses · 4 items

Used as a surfactant (detergents and soaps), emulsifier (polymerization of vinyl acetate), and antistatic agent (plastics and synthetic fibers); [HSDB]

Textiles (Printing, Dyeing, or Finishing) [Category: Industry]

NONOXYNOLS ARE SURFACTANTS

SURFACTANT FOR DETERGENTS & SOAPS; EMULSIFIER FOR EMULSION POLYMERIZATION OF VINYL ACETATE; ANTISTATIC AGENT FOR PLASTICS & SYNTHETIC FIBERS

U.S. Exports · 2 items

(1977) No Data

(1979) No Data

U.S. Imports · 2 items

(1977) No Data

(1979) No Data

U.S. Production · 2 items

(1977) PROBABLY GREATER THAN 1.14X10+7 GRAMS

(1979) PROBABLY GREATER THAN 6.81X10+6 GRAMS

Methods of ManufacturingREACTION OF NONYLPHENOL WITH 4 MOLES OF ETHYLENE OXIDE TO PRODUCE NONOXYNOL-4, FOLLOWED BY SULFATION AND TREATMENT WITH AMMONIUM HYDROXIDE

Use ClassificationFragrance Ingredients

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

1 records

New reaction record

HRID 2231620As reactantuspto-grants-1988_11

Linked notes

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