氯二甲酚

Description

Chloroxylenol · CAS 1321-23-9 · C8H9ClO. UNII 0F32U78V2Q. Boiling Point: 246; Boiling Point: 246 °C; Melting Point: 115.5 °C.

Identification

CAS Registry Number	1321-23-9
PubChem CID	2723
Molecular formula	C8H9ClO
IUPAC name	4-chloro-3,5-dimethylphenol
UNII (FDA)	0F32U78V2Q

Computed Descriptors

Molecular Weight	156.61
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	156.0341926
Monoisotopic Mass	156.0341926
Topological Polar Surface Area	20.2
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	246
Boiling Point	246 °C
Melting Point	115.5 °C
Solubility	0.03
Solubility	In water, 2.5X10+2 mg/L at 20 °C
Density	0.89 g/ml at 20 °C
Vapor Pressure	0.0018 [mmHg]
LogP	log Kow = 3.27
LogP	3.27
Dissociation Constants	pka = 9.7

Physical description & handling notes

• Liquid; Dry Powder
• Crystals from benzene; [HSDB]
• Crystals from benzene
• Phenolic odor
• 112-116 degrees Celsius
• At 15 °C in petroleum ether, benzene, acetone, toluene, chloroform, isopropanol solubility of 0.5, 6.0, 58.0, 7.0, 6.2, 38.0 g/100mL, respectively. At 25 °C in isopropanol, 1 M NaOH and glycerine solubility of 50.0, 8.8 and 1.5, respectively.

Regulatory Status

Regulatory & Food Contact	FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS CIR / INCI: Cosmetic ingredients (Chloroxylenol) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Preservative
GHS notification summary	1.1% (11 / 1041)

GHS Hazard Classification

GHS notification summary	1.1% (11 / 1041)
Reported hazard statements	H302, H315, H317, H319

Documented Uses

• PCMX is one of the biocides commonly used in metalworking fluids. [Occupational Exposure to Metalworking Fluids. DHHS (NIOSH) Publication No. 98-102, 1998, Table 4-1]
• Metal Machining [Category: Heat or Machine]
• Using Disinfectants or Biocides [Category: Clean]
• Active ingredient in germicides, antiseptics, etc., fungistat; mildew preventive; preservative; chemical intermediate.
• ...active component in deodorants, soaps, skin preparations for dermatological disorders, antiseptics, and as a preservative for aqueous functional fluids.
• MEDICATION: Antibacterial; antiseptic.

Synonyms

4-Chloro-3,5-dimethylphenol; chloroxylenol; 88-04-0; PCMX; 4-Chloro-3,5-xylenol; Benzytol; p-Chloro-m-xylenol; Ottasept; parachlorometaxylenol; 2-Chloro-m-xylenol; 4-Chloro-m-xylenol; Desson; Espadol; Chloro-xylenol; Ottasept Extra; Phenol, 4-chloro-3,5-dimethyl-

Frequently Asked Questions

What are the CAS number and molecular formula of Chloroxylenol?

CAS 1321-23-9; molecular formula C8H9ClO; molecular weight — g/mol.

What other names is Chloroxylenol known by?

4-Chloro-3,5-dimethylphenol, chloroxylenol, 88-04-0, PCMX, 4-Chloro-3,5-xylenol, Benzytol.

What is the regulatory status of Chloroxylenol?

Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS; CIR / INCI: Cosmetic ingredients (Chloroxylenol) -> CIR (Cosmetic Ingredient Review).

Is Chloroxylenol classified as hazardous?

1.1% of GHS notifications report no hazard classification (11 of 1041).

What are the key physical properties of Chloroxylenol?

Boiling Point: 246; Boiling Point: 246 °C; Melting Point: 115.5 °C; Solubility: 0.03.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.