CAS 104-40-5|CAS 84852-15-3|CAS 25154-52-3|4-nonylphenol|4-nonylphenol|NONYLPHENOL|1-(4-Hydroxyphenyl)nonane|4-Non-1-ylphenol|4-壬基酚|4-Nonylphenol|4-正壬基苯酚|1-Nonyl-4-phenol|4-Nonylphenol|Nonyl...

InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3

IGFHQQFPSIBGKE-UHFFFAOYSA-N

CCCCCCCCCc1ccc(cc1)O

Oc1ccc(cc1)CCCCCCCCC

LogD (pH = 7.4)

5.74

LogD (pH = 5.5)

5.74

Log P

5.74

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

false

Acid pKa

10.31

Polar Surface Area

20.23

Polarizability

28.57

Molar Refractivity

69.89

LOG S

-5.68

IUPAC Traditional name

NONYLPHENOL1-(4-Hydroxyphenyl)nonane4-Non-1-ylphenol4-壬基酚4-Nonylphenol4-正壬基苯酚1-Nonyl-4-phenol4-NonylphenolNonylphenol4-n-Nonylphenolp-Nonylphenol4-n-Nonylphenol4-n-Nonylphenolpara-Nonylphenolp-n-NonylphenolPhenol, nonyl-壬基酚p-n-Nonylphenolp-Nonylhenolp-Nonylphenol4-Nonyl Phenol4-n-Nonyl Phenolp-NPp-Nonylphenol4-Nonylphenolp-n-Nonylphenol4-n-Nonylphenolpara Nonyl phenol4-nonylphenol

PubMed Citation Links

BRENDA Ligand Database

Corrosive

S:26-27/28-36/37/39-46-64

Pharmacology Properties

mouse ... Esr1(13982)rat ... Ar(24208)

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290858

Packaging
1, 3 L in glass bottle
25 mL in glass bottle

46405

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

46018

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

N650430

Used in the process for the manufacture of 5-nonyl salicylaldoxime, which is used for the selective purification and concentration of copper ions.

CHEBI:34440

A member of the class of phenols that is phenol which is para-substituted with a nonyl group.

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Names and Identifiers

IUPAC name

4-nonylphenol

IUPAC Traditional name

4-nonylphenol

Synonyms

Registration numbers

CAS Number

104-40-584852-15-325154-52-3

EC Number

203-199-4284-325-5246-672-0

Beilstein Number

2047450

MDL Number

MFCD00002396

PubChem SID

162075229248701312485749224868032248866922486966011533733

PubChem CID

Chemspider ID

CHEMBL

Wikipedia Title

CHEBI ID

PubMed Citation Links

22133150218235701850649724805085

BRENDA Database

1.14.14.15.3.4.11.1.1.1462.8.2.41.14.14.321.1.1.B401.1.1.1452.8.2.12.8.2.2

PPDB Database

1,543

BRENDA Ligand Database

33319136554336715560524461752930462

BKMS React Database

30462244611365543367333197529155605

NURSA Database

10.1621/aTZQktplty10.1621/TGxnADkQV210.1621/EAKTXn6dTi

SureChEMBL Database

SCHEMBL15887

LINCS Database

LSM-19987

ACToR Database

25154-52-368081-86-7104-40-5

BindingDB Database

KEGG ID

HMDB Database

Reaxys Registry

SABIO-RK Database

CompTox Database

Molecule Details

290858

Packaging
1, 3 L in glass bottle
25 mL in glass bottle

46405

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

46018

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

TRC

N650430

Used in the process for the manufacture of 5-nonyl salicylaldoxime, which is used for the selective purification and concentration of copper ions.

ChEBI

CHEBI:34440

A member of the class of phenols that is phenol which is para-substituted with a nonyl group.

References

PubChem Literature

No Data Available

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Bioactivity

PubChem BioAssay

26-36/37/39-45-46-60-61

26-36/37/39-45

26-36/37/39-45-60-61

RTECS

SM5600000

SM5650000

SM5630000

European Hazard Symbols

Corrosive (C)

Harmful (Xn)

Nature polluting (N)

Harmful (X)

GHS Signal Word

Danger

Personal Protective Equipment

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

GHS Pictograms

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

RID/ADR

UN 3145 8/PG 2

UN 2430 8/PG 2

German water hazard class

Hazard Class

UN Number

3145

2430

UN2430

GHS Precautionary statements

P273-P280-P305+P351+P338-P310-P501

P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

GHS Hazard statements

H302-H314-H361fd-H410

H302-H314-H410

H314-H318-H361-H400-H410-H302

Packing Group

III

Storage Condition

Refrigerator

TSCA Listed

是

Linear Formula

CH3(CH2)8C6H4OH

Purity

~85% (based on content of p-isomers (mixture of compounds with branched side chain))

98+%

Empirical Formula (Hill Notation)

C15H24O

Packaging

ampule of 100 mg

Certificate of Analysis

Molecule

ID:88241