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4-Chloro-3-methylphenol

4-Chloro-3-methylphenol structure

CAS No:
59-50-7
Formula:
C7H7ClO
Chemical Name:
4-Chloro-3-methylphenol
Synonyms:
Phenol,4-chloro-3-methyl-;m-Cresol,4-chloro-;4-Chloro-3-methylphenol;2-Chloro-5-hydroxytoluene;6-Chloro-3-hydroxytoluene;3-Methyl-4-chlorophenol;Parol;PCMC;Raschit;Raschit K;Preventol CMK;4-Chloro-5-methylphenol;Baktol;Baktolan;Ottafact;Rasen-Anicon;Aptal;Candaseptic;Peritonan;para-Chloro-meta-cresol;Chlorocresol;4-Chloro-3-cresol;1-Chloro-2-methyl-4-hydroxybenzene;p-Chloro-m-cresol;Neopredisan;4-Chloro-m-cresol;NSC 4166;Parmetol;Aldecoc XD;3-Methyl-p-chlorophenol
Categories:
Cosmetic Ingredient > Cosmetic Preservative

Description

Chlorocresol (4-Chloro-3-methylphenol) is a medicine antiseptic.

p-Chlorocresol (p-chloro-m-cresol; PCMC; brand name: Preventol CMK) is a chlorinated phenol which is used as an antiseptic and preservative. It forms colourless, dimorphous crystals at room temperature and is only slightly soluble in water. For use as a disinfectant such as a hand wash, it is commonly dissolved in alcohol in combination with other phenols. It is a moderate allergen for sensitive skin.

4-Chloro-3-methylphenol Basic Attributes

Molecular Weight：

142.583

Exact Mass：

142.58

EC Number：

200-431-6

HScode：

2908199090

Characteristics

PSA：

20.23000

XLogP3：

2.89

Appearance：

Chlorocresol appears as a pinkish to white crystalline solid with a phenolic odor. Melting point 64-66°C. Shipped as a solid or in a liquid carrier. Soluble in aqueous base. Toxic by ingestion, inhalation or skin absorption. Used as an external germicide. Used as a preservative in paints and inks.

Density：

1.37 g/cm³

Melting Point：

67 °C

Boiling Point：

235 °C

Flash Point：

93.4±21.8 °C

Refractive Index：

1.566

Water Solubility：

4 g/L (20 ºC)

Storage Conditions：

Chlorocresol is stable at room temperature but is volatile in steam. Aqueous solutions may be sterilized by autoclaving. On exposure to air and light, aqueous solutions may become yellow colored. Solutions in oil or glycerin may be sterilized by heating at 1608℃ for 1 hour. The bulk material should be stored in a well-closed container, protected from light, in a cool, dry place.

Vapor Pressure：

<0.1 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: 1830 mg/kg LD50 dermal Rat > 2000 mg/kg

Odor：

Said to be odorless when very pure, but usually a phenolic odor persists

PH：

pH = 5.6 in saturated aqueous solution

Safety Information

Packing level：

Hazard category：

6.1(a)

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

R21/22;R41;R43;R50

safety instructions：

S26-S36/37/39-S61-S45-S36/37-S16-S7

RTECS Number：

GO7100000

Marks：

Xn:Harmful

Storage features：

Separated from food and feedstuffs. Dry.

Stability/Shelf Life：

Stable. Incompatible with brass, oxidizing agents, copper, copper alloys.

Precautionary statement(s)：

P273-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312-H317-H318-H400

4-Chloro-3-methylphenol Use and Manufacturing

P-chloro-m-cresol is used as a preservative in a wide number of topical preparations and is a rare cause of allergic contact dermatitis and CoU, the mechanism of which remains uncertain. antiinfectant Disinfectant; pharmaceutic aid (preservative).

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Method	Comments	Reference
Kovats' RI, non-polar column, custom temperature program	Packed	SE-30	1283.	custom temperature program	Chromosorb W HMDS (80-100 mesh); Column length: 2.9 m; Program: not specified	Grzybowski, J.Lamparczyk, H.Nasal, A.Radecki, A.Relationship between the retention indices of phenols on polar and non-polar stationary phasesJ. Chromatogr.1980, 196, 2, 217-223.
Kovats' RI, non-polar column, custom temperature program	Capillary	VF-5MS	1293.	temperature ramp	30. m/0.25 mm/0.25 μm, He; T_start: 60. C; T_end: 270. C	Todua, N.G.Retention Data. NIST Mass Spectrometry Data Center.NIST Mass Spectrometry Data Center, 2011.
Kovats' RI, non-polar column, custom temperature program	Capillary	OV-1	1260.1	temperature ramp	8. K/min; T_start: 35. C; T_end: 300. C	Gautzsch, R.Zinn, P.Use of incremental models to estimate the retention indexes of aromatic compoundsChromatographia1996, 43, 3/4, 163-176.
Kovats' RI, non-polar column, custom temperature program	Capillary	DB-1	1277.	temperature ramp	30. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 10. K/min	Gerbino, T.C.Castello, G.Prediction of programmed temperature retention indices on capillary columns of different polaritiesJ. Chromatogr. A1995, 699, 1-2, 161-171.
Kovats' RI, non-polar column, custom temperature program	Capillary	DB-1	1280.	temperature ramp	30. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 5. K/min	Gerbino, T.C.Castello, G.Prediction of programmed temperature retention indices on capillary columns of different polaritiesJ. Chromatogr. A1995, 699, 1-2, 161-171.

Computed Properties

Molecular Weight:142.58
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:142.0185425
Monoisotopic Mass:142.0185425
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

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Chlorocresol Bactericide (PCMC Used in Personal Care Products)

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Guide of 4-Chloro-3-methylphenol

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Analysis Methods
Computed Properties
Synthesis Route
Recommended Suppliers
Learn More Other Chemicals

4-Chloro-3-methylphenol

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