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4-n-Octylphenol

4-n-Octylphenol structure

CAS No:
1806-26-4
Formula:
C14H22O
Chemical Name:
4-n-Octylphenol
Synonyms:
Phenol,4-octyl-;Phenol,p-octyl-;4-Octylphenol;p-Octylphenol;4-n-Octylphenol;p-(n-Octyl)phenol
Categories:
Surfactant > Industrial Surfactant

Description

white crystals or powderChEBI: A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.

WHITE CRYSTALS.

4-octylphenol is a member of the class of phenols that is phenol which is substituted at the para- position by an octyl group. It has a role as a surfactant, a xenoestrogen and a metabolite.

4-n-Octylphenol Basic Attributes

Molecular Weight：

206.32

Exact Mass：

206.32

EC Number：

217-302-5

UNII：

7DF2B8LH3P

ICSC Number：

1345

UN Number：

2430

DSSTox ID：

DTXSID9022312

HScode：

29071390

Characteristics

PSA：

20.23000

XLogP3：

5.66

Density：

0.9421 g/cm³ @ Temp: 20 °C

Melting Point：

42-43 °C

Boiling Point：

113-114 °C @ Press: 3 Torr

Flash Point：

>230 °F

Refractive Index：

1.5052 (estimate)

Water Solubility：

Insoluble in water.

Storage Conditions：

room temp

Vapor Density：

Relative vapor density (air = 1): 7.1

Collision Cross Section：

160.03 Å² [M-H]-

Experimental Properties：

CONGEALS AT 72-74 °C; SPECIFIC GRAVITY 0.89 @ 90 °C; BOILING POINT 280-302 °C; HYDROXYL COEFFICIENT 259-275; INSOLUBLE IN HOT AND COLD WATER; LIMITED SOLUBILITY IN ALKALIES; SOL IN 1:1 MIXT METHANOL & 50% AQ POTASSIUM HYDROXIDE; SOL IN ALC, ACETONE, FIXED OILS; WHITE FLAKES /OCTYL PHENOL ISOMERS/

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2430 8/PG 2

wgk germany：

hazard class code：

36/38

safety instructions：

26-36

RTECS Number：

SM5787000

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents. Combustible.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

Fire Hazards：

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

GHS Classification：

|Danger|H314 (91.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 556 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P260, P264, P270, P281, P308+P313, P309+P311, P405, and P501

Fire Fighting：

Use water spray, powder, foam, carbon dioxide.

Spillage Disposal：

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered plastic containers. If appropriate, moisten first to prevent dusting. Then wash away with plenty of water. Do NOT let this chemical enter the environment.

Safe Storage：

Separated from strong reducing agents. Store in an area without drain or sewer access.

Inhalation Risk：

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

Effects of Short Term Exposure：

The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion.

Fire Prevention：

NO open flames.

Exposure Prevention：

PREVENT DISPERSION OF DUST!

Inhalation Prevention：

Use local exhaust or breathing protection.

Skin Prevention：

Protective gloves. Protective clothing.

Eye Prevention：

Wear safety goggles.

Drug Information

MeSH：

Non-steroidal compounds with estrogenic activity. (See all compounds classified as Estrogens, Non-Steroidal.)

First Aid：

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

MeSH Entry Terms：

4-octylphenol

Symptoms：

Burning sensation. Cough. Sore throat. Laboured breathing. Shortness of breath.

Redness. Pain. Skin burns.

Redness. Pain. Severe deep burns.

4-n-Octylphenol Use and Manufacturing

Methods of Manufacturing

CATALYTIC ALKYLATION OF PHENOL WITH OLEFINS. /P-TERT-ISOMER/|PROBABLY BY REACTION OF 1-OCTENE WITH PHENOL FOLLOWED BY VACUUM DISTILLATION TO ISOLATE PRODUCT

Uses

Labelled 4-Octylphenol

Production

(1977) AT LEAST 4.54X10+8 GRAMS|(1981) No Data

Formulations：

AVAILABLE COMMERCIALLY AS A LIQUID. /OCTYL PHENOL ISOMERS/

Manufacturing Info：

Phenol, 4-octyl-: ACTIVE|Phenol, octenylated: INACTIVE

Computed Properties

Molecular Weight:206.32
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:206.167065321
Monoisotopic Mass:206.167065321
Topological Polar Surface Area:20.2
Heavy Atom Count:15
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-n-Octylphenol

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
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4-N-OCTYLPHENOL

CAS No.: 1806-26-4

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Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
5 YRS

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Manufactory Supplier of Chemical Pesticides,Food Additives,Agrochemicals,Active Pharm Ingredients,Flavors and Fragrances,Chemical Catalyst,Chemical Materials,Chem&Pharm Intermediates,Organic Intermediates,Feed Additive

4-Octylphenol -a

CAS No.: 1806-26-4

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