Basic information
- CAS
18684-11-2- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]- InChIKey
WYTNTFGZBBTWNR-UHFFFAOYSA-M- Molecular formula
- C21H46N.CH3O4S
- Average molar mass
- 423.7 g/mol
- Monoisotopic mass
- 423.33823022
Overview
The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Steartrimonium Methosulfate...
Names & identifiers
- Preferred name
- 1-Octadecanaminium, N,N,N-trimethyl-, methyl sulfate (1:1)
- IUPAC
- methyl sulfate;trimethyl(octadecyl)azanium
- English name
- trimethyl(octadecyl)ammonium methyl sulphate
- Molecular formula
- C22H49NO4S
- Molecular weight
- 423.7
Names & synonyms
18684-11-2STEARTRIMONIUM METHOSULFATETrimethylstearylammonium methyl sulfateUNII-83454CS6TREMPIGEN CM83454CS6TREINECS 242-501-9Trimethylstearylammonium methylsulfateTrimethyloctadecylammonium methosulfateTrimethyloctadecylammonium, methyl sulfate1-Octadecanaminium, N,N,N-trimethyl-, methyl sulfate1-Octadecanaminium, N,N,N-trimethyl-, methyl sulfate (1:1)
Show more names
1831SSteartrimonium Methyl SulfatestearyltrimethylammoniummethosulfateTrimethyl(octadecyl)ammonium methyl sulfatetrimethyl(octadecyl)ammonium methyl sulphate
DTXSID90885065Stearyl trimethylammonium methyl sulfateSTEARYLTRIMETHYLAMMONIUM METHYL SULFATEOCTADECYLTRIMETHYLAMMONIUM METHYL SULFATEN-OCTADECYL-N,N,N-TRIMETHYLAMMONIUM METHOSULFATERefChem:76738DTXCID201024469STEARTRIMONIUM METHOSULFATE [INCI]
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Steartrimonium Methosulfate) -> CIR (Cosmetic Ingredient Review)
Antistatic
Physicochemical properties
- Cosmetics Ingredients Functions
- ANTISTATICHAIR CONDITIONING
- LogP
- 3.262 · 3.262 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 83454 CS6TR · 83454CS6TR
- EPA Substance Registry System
- Trimethylstearylammonium methyl sulfate (18684-11-2)
- Symbol(GHS)
- 9 · GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 400 · H400-H302-H314-H318
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310-P273-P391-P501-P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (62.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 98 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 1-Octadecanaminium, N,N,N-trimethyl-, methyl sulfate
Hazard Classes and CategoriesAcute Tox. 4 (62.2%)
Toxicology
Toxicity Summary
The CIR Expert Panel concluded the following ingredients are safe in the present practices of use and concentration described in the safety assessment when formulated to be non-irritating...Steartrimonium Methosulfate...
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS05
- Hazard statements
- H400-H302-H314-H318
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310-P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Steartrimonium Methosulfate
Use ClassificationCosmetics -> Antistatic
General Manufacturing Information1-Octadecanaminium, N,N,N-trimethyl-, methyl sulfate (1:1): ACTIVE
Suppliers15 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
杭州埃肯新材料有限公司15258847994 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
临沂康爱特化工科技有限公司0523-84506864 15152665088 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
湖北鸿鑫瑞宇精细化工有限公司027-65385071 17771822910 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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