N-Hexadecyltrimethylammonium Chloride (CAS 112-02-7) — formula C19H42ClN, molecular weight 319.30 g/mol.
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 chemical compound with CAS registry number 112-02-7 and molecular formula C19H42ClN (molecular weight 319.30 g/mol).
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 · Cetyltrimethyl ammonium chloride(CTAC)
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, 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..
Public-database records for N-Hexadecyltrimethylammonium Chloride (CAS 112-02-7), reproduced here for independent cross-checking.
| 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%) |
| 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) |
| 闪点 | 69 °F (USCG, 1999) |
|---|---|
| LogP | log Kow= 3.23 |
| 自燃温度 | 750 °F (USCG, 1999) |
| 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 |
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
| 分子量 | 320.0 |
|---|---|
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 15 |
| 精确质量 | 319.3005780 |
| 单同位素质量 | 319.3005780 |
| 拓扑极性表面积 | 0 |
| 重原子数 | 21 |
| 形式电荷 | 0 |
| 复杂度 | 181 |
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. 闪点: 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.
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