Ammonium 2-(4-nonylphenoxy)ethyl sulfate

HCID 169348CAS 31691-97-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCc1ccc(OCCOS(=O)(=O)[O-])cc1.[NH4+]
InChIKey
RMCWGZGQNDVYCY-UHFFFAOYSA-N
Molecular formula
C17H31NO5S
Average molar mass
361.5 g/mol

Overview

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Names & identifiers

Preferred name
Ammonium 2-(4-nonylphenoxy)ethyl sulfate
IUPAC
azanium 2-(4-nonylphenoxy)ethyl sulfate
English name
AMMONIUM NONOXYNOL-4 SULFATE
Molecular formula
C17H31NO5S
Molecular weight
361.49674

Names & synonyms

ammonium 2-(4-nonylphenoxy)ethyl sulfate31691-97-1azanium;2-(4-nonylphenoxy)ethyl sulfateAmmonium nonoxynol-4 sulfateNS00013362Sulfate, ammonium saltAMMONIUM NONOXYNOL-30 SULFATEnonylphenol ethoxylate sulfate, ammonium saltAMMONIUM NONOXYNOL-4 SULFATE ISO 9001：2015 REACHPoly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(4-nonylphenoxy)-, ammonium salt

Database identifiers

CAS
31691-97-1
PubChem CID
169348
EC Number
646-414-0

Properties

Computed structural properties

Topological polar surface area
85 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
24

Experimental & physicochemical properties

CosmeticsEmulsifying; Cleansing; Foaming; Surfactant
Food Contact Substances · 2 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physicochemical properties

Cosmetics Ingredients Functions
CLEANSING
LogP
6.178 · 6.178 (est)
Indirect Additives used in Food Contact Substances
ALPHA-(P-NONYLPHENYL)-OMEGA-HYDROXYPOLY (OXYETHYLENE) SULFATE, AMMONIUM SALT
FDA 21 CFR
175.105 · 175.105; 176.180; 178.3400
EWG's Food Scores
1 · 1-4
FDA UNII
-30 SULFATE · AMMONIUM NONOXYNOL-30 SULFATE (003RU5UO9K)AMMONIUM NONOXYNOL-4 SULFATE (9HIA70O4J0)

Safety & regulation

GHS classification

GHS Classification · 3 items

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 2 items

Chemical: Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(4-nonylphenoxy)-, ammonium salt

Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(4-nonylphenoxy)-, ammonium salt: 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.

Other Safety InformationIMAP assessments - Nonylphenol ethoxylates and their sulfate and phosphate esters: Environment tier II assessment
Hazard Classes and CategoriesAcute toxicity (ingestion) - category 4

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

Household ProductsInformation on 4 consumer products that contain Ammonium nonoxynol-4 sulfate in the following categories is provided:
Use ClassificationCosmetics -> Emulsifying; Cleansing; Foaming; Surfactant

Applications

DescriptionAmmonium Nonoxynol-4 Sulfate is the ammonium salt of sulfated Nonoxynol-4

Suppliers9 total

北京华美互利生物化工010-56205725 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]

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