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1806-26-4

1806-26-4 Structure

1806-26-4 Structure
IdentificationMore
[Name]

4-N-OCTYLPHENOL
[CAS]

1806-26-4
[Synonyms]

4-N-OCTYLPHENOL
4-OCTYLPHENOL
OCTYL PHENOL
P-N-OCTYL PHENOL
POP
1-(p-Hydroxyphenyl)octane
4-octyl-pheno
Phenol, 4-octyl-
Phenol, p-octyl-
4-OCTYLPHENOL, 500MG, NEAT
OCTYLPHENOLS
[EINECS(EC#)]

217-302-5
[Molecular Formula]

C14H22O
[MDL Number]

MFCD00036134
[Molecular Weight]

206.32
[MOL File]

1806-26-4.mol
Chemical PropertiesBack Directory
[Appearance]

white crystals or powder
[Melting point ]

44-45 °C(lit.)
[Boiling point ]

150 °C4 mm Hg(lit.)
[density ]

0.961 g/mL at 25 °C(lit.)
[refractive index ]

1.5052 (estimate)
[RTECS ]

SM5787000
[Fp ]

>230 °F
[storage temp. ]

room temp
[solubility ]

Chloroform (Slightly) DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

10.15±0.15(Predicted)
[color ]

White to Dark Beige
[Specific Gravity]

0.961
[Stability:]

Stable. Incompatible with strong oxidizing agents. Combustible.
[Water Solubility ]

Insoluble in water.
[Henry's Law Constant]

1.3×100 mol/(m3Pa) at 25℃, Mackay et al. (2006)
[InChI]

1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3
[InChIKey]

NTDQQZYCCIDJRK-UHFFFAOYSA-N
[SMILES]

CCCCCCCCc1ccc(O)cc1
[LogP]

5.633 (est)
[CAS DataBase Reference]

1806-26-4(CAS DataBase Reference)
[EPA Substance Registry System]

p-Octylphenol (1806-26-4)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2430 8/PG 2
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29071390
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
[Hazardous Substances Data]

1806-26-4(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

4-tert-Butylphenol-->Salicylic acid 4-octylphenyl ester
Hazard InformationBack Directory
[Chemical Properties]

white crystals or powder
[Uses]

4-n-Octylphenol is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.
[Uses]

A weak estrogenic disruptor on the induction of mammary carcinomas (MC) and benign proliferative lesions (PL) induced by DMBA (7,12-dimethylbenz[a]anthracene
[Uses]

Labelled 4-Octylphenol
[Definition]

ChEBI: A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.
[General Description]

4-Octylphenol belongs to the class of alkylphenolpolyethoxylates, commonly used as non-ionic surfactants in a variety of commercial and industrial applications.
[Safety Profile]

Experimental reproductiveeffects. When heated to decomposition it emits acridsmoke and irritating vapors
Spectrum DetailBack Directory
[Spectrum Detail]

4-N-OCTYLPHENOL(1806-26-4)MS
4-N-OCTYLPHENOL(1806-26-4)1HNMR
4-N-OCTYLPHENOL(1806-26-4)13CNMR
4-N-OCTYLPHENOL(1806-26-4)IR1
4-N-OCTYLPHENOL(1806-26-4)IR2
4-N-OCTYLPHENOL(1806-26-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-n-Octylphenol, 99%(1806-26-4)
[Sigma Aldrich]

1806-26-4(sigmaaldrich)
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