N-Hexadecyltrimethylammonium Chloride (CAS 112-02-7) — formula C19H42ClN, molecular weight 319.30 g/mol; category pharmaceutical intermediates and APIs.
| CAS Number | 112-02-7 |
|---|---|
| Molecular Formula | C19H42ClN |
| Molecular Weight | 319.30 g/mol |
| LogP | log Kow= 3.23 |
| Applications | Uses: CIR ingredient: Cetrimonium Chloride, Available as a 25% aqueous solution and 50% solution in isopropyl alcohol and water for use in antifungal formulations and hair conditioners, Also used as a disinfectant, germicide, cationic detergent, fermentation aid, dispersant, coagulant for antibiotic production, and antistatic and softening agent for textile finishes, [HSDB], Using Disinfectants or Biocides [Category: Clean], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], USED IN ANTIFUNGAL FORMULATION, IN HAIR CONDITIONER FORMULATION, DISINFECTANT, CATIONIC DETERGENT, SOFTENER IN HAIR TREATMENTS, EG, CREME RINSES, FERMENTATION AID, GERMICIDE, For more Uses (Complete) data for TRIMETHYLHEXADECYLAMMONIUM CHLORIDE (6 total), please visit the HSDB record page., Use Classification: Cosmetics -> Preservative, Industry Uses: Corrosion inhibitor, Processing aids, specific to petroleum production, Softener and conditioner, Surface modifier, CBI, Processing aids not otherwise specified, Surfactant (surface active agent), Consumer Uses: Cleaning agent, Corrosion inhibitor, Household Products: Cosmetics product ingredient: Cetrimonium chloride, Reason for Listing: Priority Chemical identified under the California Environmental Contaminant Biomonitoring Program., Potential Health Impacts: Undefined Toxicity, Product count: 263, Information on 368 consumer products that contain Cetrimonium chloride in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pet Care, Methods of Manufacturing: PROBABLY BY REACTION OF N-HEXADECYLAMINE WITH METHYL CHLORIDE IN THE PRESENCE OF SODIUM HYDROXIDE, REACTION OF N-HEXADECYLCHLORIDE WITH TRIMETHYLAMINE, n-Hexadecylamine + methyl chloride (quaternisation), Trimethylamine + cetyl chloride (quaternisation), Formulations, Preparations: 25% SOLN IN WATER, 50% SOLN IN MIXT OF ISOPROPYL ALCOHOL AND WATER..., CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN, COMPD CONTAINING A QUATERNARY NH4+ SALT SUCH AS ARQUAD 16, 50 AND GREATER THAN 10% OF AN AMPHIPHILIC COMPD SUCH AS CIRRASOL STERILIZE DISPERSIONS OF A SOLID, WATER INSOL FUNGICIDE SUCH AS CAPTAN AN CAPTAFOL IN A SOLN OF A FUNGICIDAL PYRIMIDINE SALT SUCH AS ETHIRIMOL @ A PH 1-1.5., Available as a 25% or 50% soluble in water, U.S. Production: 2023: 1, 000, 000 - <5, 000 lb, 2022: 1, 2021: 2, 500, 000 - <4, 2020: 2, (1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1993) 1, 420 Kg, General Manufacturing Information: Paint and Coating Manufacturing, All Other Chemical Product and Preparation Manufacturing, Other (requires additional information), Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Oil and Gas Drilling, Extraction, and Support activities, Transportation Equipment Manufacturing, 1-Hexadecanaminium, N, N-trimethyl-, chloride (1:1): ACTIVE, THE PROPERTIES AND USES OF QUATERNARY AMMONIUM COMPD IN COSMETICS, AND ESP IN PRODUCTS FOR THE HAIR, ARE DISCUSSED. |
| Category | Pharmaceutical Raw Materials |
Documented applications: Uses: CIR ingredient: Cetrimonium Chloride, Available as a 25% aqueous solution and 50% solution in isopropyl alcohol and water for use in antifungal formulations and hair conditioners, Also used as a disinfectant, germicide, cationic detergent, fermentation aid, dispersant, coagulant for antibiotic production, and antistatic and softening agent for textile finishes, [HSDB], Using Disinfectants or Biocides [Category: Clean], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], USED IN ANTIFUNGAL FORMULATION, IN HAIR CONDITIONER FORMULATION, DISINFECTANT, CATIONIC DETERGENT, SOFTENER IN HAIR TREATMENTS, EG, CREME RINSES, FERMENTATION AID, GERMICIDE, For more Uses (Complete) data for TRIMETHYLHEXADECYLAMMONIUM CHLORIDE (6 total), please visit the HSDB record page., Use Classification: Cosmetics -> Preservative, Industry Uses: Corrosion inhibitor, Processing aids, specific to petroleum production, Softener and conditioner, Surface modifier, CBI, Processing aids not otherwise specified, Surfactant (surface active agent), Consumer Uses: Cleaning agent, Corrosion inhibitor, Household Products: Cosmetics product ingredient: Cetrimonium chloride, Reason for Listing: Priority Chemical identified under the California Environmental Contaminant Biomonitoring Program., Potential Health Impacts: Undefined Toxicity, Product count: 263, Information on 368 consumer products that contain Cetrimonium chloride in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pet Care, Methods of Manufacturing: PROBABLY BY REACTION OF N-HEXADECYLAMINE WITH METHYL CHLORIDE IN THE PRESENCE OF SODIUM HYDROXIDE, REACTION OF N-HEXADECYLCHLORIDE WITH TRIMETHYLAMINE, n-Hexadecylamine + methyl chloride (quaternisation), Trimethylamine + cetyl chloride (quaternisation), Formulations, Preparations: 25% SOLN IN WATER, 50% SOLN IN MIXT OF ISOPROPYL ALCOHOL AND WATER..., CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN, COMPD CONTAINING A QUATERNARY NH4+ SALT SUCH AS ARQUAD 16, 50 AND GREATER THAN 10% OF AN AMPHIPHILIC COMPD SUCH AS CIRRASOL STERILIZE DISPERSIONS OF A SOLID, WATER INSOL FUNGICIDE SUCH AS CAPTAN AN CAPTAFOL IN A SOLN OF A FUNGICIDAL PYRIMIDINE SALT SUCH AS ETHIRIMOL @ A PH 1-1.5., Available as a 25% or 50% soluble in water, U.S. Production: 2023: 1, 000, 000 - <5, 000 lb, 2022: 1, 2021: 2, 500, 000 - <4, 2020: 2, (1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1993) 1, 420 Kg, General Manufacturing Information: Paint and Coating Manufacturing, All Other Chemical Product and Preparation Manufacturing, Other (requires additional information), Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Oil and Gas Drilling, Extraction, and Support activities, Transportation Equipment Manufacturing, 1-Hexadecanaminium, N, N-trimethyl-, chloride (1:1): ACTIVE, THE PROPERTIES AND USES OF QUATERNARY AMMONIUM COMPD IN COSMETICS, AND ESP IN PRODUCTS FOR THE HAIR, ARE DISCUSSED..
N-Hexadecyltrimethylammonium Chloride is a pharmaceutical intermediate or API compound with CAS registry number 112-02-7 and molecular formula C19H42ClN (molecular weight 319.30 g/mol), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 112-02-7
Its molecular formula C19H42ClN comprises 19 C, 42 H, 1 Cl, 1 N atoms.
Also known as: N-Hexadecyltrimethylammonium Chloride · 十六烷基三甲基氯化铵；三甲基十六烷基氯化铵；氯化三甲基十六烷基铵；1631；CTAC；西曲氯铵 · Cetyltrimethyl ammonium chloride(CTAC)
Category: pharmaceutical intermediates and APIs
The CAS registry number of N-Hexadecyltrimethylammonium Chloride is 112-02-7.
Molecular formula C19H42ClN, molecular weight 319.30 g/mol.
It is also registered under: N-Hexadecyltrimethylammonium Chloride, 十六烷基三甲基氯化铵；三甲基十六烷基氯化铵；氯化三甲基十六烷基铵；1631；CTAC；西曲氯铵, Cetyltrimethyl ammonium chloride(CTAC).
Recorded applications: Uses: CIR ingredient: Cetrimonium Chloride, Available as a 25% aqueous solution and 50% solution in isopropyl alcohol and water for use in antifungal formulations and hair conditioners, Also used as a disinfectant, germicide, cationic detergent, fermentation aid, dispersant, coagulant for antibiotic production, and antistatic and softening agent for textile finishes, [HSDB], Using Disinfectants or Biocides [Category: Clean], Textiles (Printing, Dyeing, or Finishing) [Category: Industry], USED IN ANTIFUNGAL FORMULATION, IN HAIR CONDITIONER FORMULATION, DISINFECTANT, CATIONIC DETERGENT, SOFTENER IN HAIR TREATMENTS, EG, CREME RINSES, FERMENTATION AID, GERMICIDE, For more Uses (Complete) data for TRIMETHYLHEXADECYLAMMONIUM CHLORIDE (6 total), please visit the HSDB record page., Use Classification: Cosmetics -> Preservative, Industry Uses: Corrosion inhibitor, Processing aids, specific to petroleum production, Softener and conditioner, Surface modifier, CBI, Processing aids not otherwise specified, Surfactant (surface active agent), Consumer Uses: Cleaning agent, Corrosion inhibitor, Household Products: Cosmetics product ingredient: Cetrimonium chloride, Reason for Listing: Priority Chemical identified under the California Environmental Contaminant Biomonitoring Program., Potential Health Impacts: Undefined Toxicity, Product count: 263, Information on 368 consumer products that contain Cetrimonium chloride in the following categories is provided:, • Auto Products, • Commercial, Institutional, • Inside the Home, • Personal Care, • Pet Care, Methods of Manufacturing: PROBABLY BY REACTION OF N-HEXADECYLAMINE WITH METHYL CHLORIDE IN THE PRESENCE OF SODIUM HYDROXIDE, REACTION OF N-HEXADECYLCHLORIDE WITH TRIMETHYLAMINE, n-Hexadecylamine + methyl chloride (quaternisation), Trimethylamine + cetyl chloride (quaternisation), Formulations, Preparations: 25% SOLN IN WATER, 50% SOLN IN MIXT OF ISOPROPYL ALCOHOL AND WATER..., CETYLTRIMETHYLAMMONIUM CHLORIDE SOLN, COMPD CONTAINING A QUATERNARY NH4+ SALT SUCH AS ARQUAD 16, 50 AND GREATER THAN 10% OF AN AMPHIPHILIC COMPD SUCH AS CIRRASOL STERILIZE DISPERSIONS OF A SOLID, WATER INSOL FUNGICIDE SUCH AS CAPTAN AN CAPTAFOL IN A SOLN OF A FUNGICIDAL PYRIMIDINE SALT SUCH AS ETHIRIMOL @ A PH 1-1.5., Available as a 25% or 50% soluble in water, U.S. Production: 2023: 1, 000, 000 - <5, 000 lb, 2022: 1, 2021: 2, 500, 000 - <4, 2020: 2, (1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS, (1993) 1, 420 Kg, General Manufacturing Information: Paint and Coating Manufacturing, All Other Chemical Product and Preparation Manufacturing, Other (requires additional information), Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Oil and Gas Drilling, Extraction, and Support activities, Transportation Equipment Manufacturing, 1-Hexadecanaminium, N, N-trimethyl-, chloride (1:1): ACTIVE, THE PROPERTIES AND USES OF QUATERNARY AMMONIUM COMPD IN COSMETICS, AND ESP IN PRODUCTS FOR THE HAIR, ARE DISCUSSED..
Category: Pharmaceutical Raw Materials.
Independent reference data for N-Hexadecyltrimethylammonium Chloride (CAS 112-02-7), compiled from public chemistry databases.
| CAS 号 | 112-02-7 |
|---|---|
| PubChem CID | 8154 |
| 分子式 | C19H42ClN |
| 分子量 | 319.30 g/mol |
| IUPAC 名称 | hexadecyl(trimethyl)azanium chloride |
| InChIKey | WOWHHFRSBJGXCM-UHFFFAOYSA-M |
| UNII（FDA） | UC9PE95IBP |
| ChEBI 编号 | CHEBI:53581 |
| Molecular Weight | 320.0 |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 15 |
| Exact Mass | 319.3005780 |
| Monoisotopic Mass | 319.3005780 |
| Topological Polar Surface Area | 0 |
| Heavy Atom Count | 21 |
| Flash Point | 69 °F (USCG, 1999) |
|---|---|
| LogP | log Kow= 3.23 |
| Autoignition Temperature | 750 °F (USCG, 1999) |
112-02-7; Hexadecyltrimethylammonium chloride; Cetrimonium chloride; N-Hexadecyltrimethylammonium chloride; Dehyquart A; Genamin CTAC; Aliquat 6; Cetyl trimethyl ammonium chloride; CETAC; HTAC; Adogen 444; Surfroyal CTAC; Morpan CHA; Quartamin 60W; Trimethylcetylammonium chloride; Arquad 16-29
| 法规与食品接触 | CIR / INCI: Cosmetics ingredient -> Conditioning/Emollient; Emulsifier; Fragrance; Other (Specify); Preservative/Stabilize CIR / INCI: Cosmetic ingredients (Cetrimonium Chloride) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Preservative |
|---|---|
| GHS 通报统计 | 0.5% (5 / 1105) |
| GHS 通报统计 | 0.5% (5 / 1105) |
|---|---|
| 已通报的危害声明 | H302 (49%), H311 (28.6%), H314 (41.5%), H315 (52.3%), H318 (85.7%), H335 (44.3%), H400 (99.4%), H410 (40.9%) |
十六烷基三甲基氯化铵；三甲基十六烷基氯化铵；氯化三甲基十六烷基铵；1631；CTAC；西曲氯铵 的 CAS 号为 112-02-7，分子式 C19H42ClN，分子量 319.30 g/mol。 UNII UC9PE95IBP; ChEBI 53581; InChIKey WOWHHFRSBJGXCM-UHFFFAOYSA-M. Flash Point: 69 °F (USCG, 1999); LogP: log Kow= 3.23; Autoignition Temperature: 750 °F (USCG, 1999).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: N-十六烷基三甲基氯化铵