Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]- InChIKey
VBIIFPGSPJYLRR-UHFFFAOYSA-M- Molecular formula
- C21H46N.Cl
- Average molar mass
- 348 g/mol
Overview
Stearyltrimethylammonium chloride is an organic molecular entity.
Names & identifiers
- Preferred name
- Stearyltrimethylammonium chloride
- IUPAC
- trimethyl(octadecyl)azanium chloride
- English name
- Trimethylstearylammonium Chloride
- Molecular formula
- C21H46ClN
- Molecular weight
- 348.06
Names & synonyms
112-03-8Trimethylstearylammonium chlorideStacCation ABAliquat 7Stearyltrimethylammonium chlorideNissan cation ABQuaternium-10Arquad 18Stearyl trimethyl ammonium chlorideArquad 18-50Monostearyl trimethyl ammonium chloride
Show more names
1831Steartrimonium chlorideOTACOctadecy trimethyl ammonium chlorideTC-8
N,N,N-Trimethyl-1-octadecanaminium chlorideCZ70647U92trimethyl(octadecyl)azanium chlorideRefChem:871332N,N,N-trimethyloctadecan-1-aminium chlorideTrimethyloctadecylammonium chlorideOCTADECYLTRIMETHYLAMMONIUM CHLORIDE1-Octadecanaminium, N,N,N-trimethyl-, chloride
Database identifiers
- CAS
112-03-8- PubChem CID
- 8155
- DTXSID
DTXSID1026902- ChEMBL
CHEMBL118745- ChEBI
CHEBI:81710- UNII
- CZ70647U92
- EC Number
- 203-929-1
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Steartrimonium Chloride) -> CIR (Cosmetic Ingredient Review)
Preservative; Hair conditioning
Physical DescriptionCBI; Large Crystals
Physicochemical properties
- Boiling point
- 249 ℃[at · 249℃[at 101 325 Pa]
- Density
- 0.91 · 0.91[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- color
- White
- PH
- 5.5 · 5.5-8.5 (20℃, 0.05% in H2O)
- Water Solubility
- 1.759 mg/L · Soluble in water 1.759 mg/L @ 25°C.
- λmax
- 225 nm · λ: 225 nm Amax: ≤0.08λ: 260 nm Amax: ≤0.06λ: 280 nm Amax: ≤0.04λ: 340 nm Amax: ≤0.02
- BRN
- 3917847 · 3917847
- Stability
- Stable. Incompatible with strong oxidizing agents.
- Cosmetics Ingredients Functions
- PRESERVATIVEHAIR CONDITIONINGANTISTATIC
- InChI
- 1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
- InChIKey
- VBIIFPGSPJYLRR-UHFFFAOYSA-M
- SMILES
- [Cl-].CCCCCCCCCCCCCCCCCC[N+](C)(C)C
- LogP
- 3.61 at · 3.61 at 25℃
- CAS DataBase Reference
- 112 · 112-03-8(CAS DataBase Reference)
- EWG's Food Scores
- 4 · 4
- FDA UNII
- 70647 U92 · CZ70647U92
- EPA Substance Registry System
- 1 · 1-Octadecanaminium, N,N,N-trimethyl-, chloride (112-03-8)
- UNSPSC Code
- 12161900 · 12161900
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312-H314-H410
- Precautionary statements
- 260 · P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-21/22
- Safety Statements
- 26 · 26-36/37/39-37/39-36/37
- RIDADR
- 1759 · UN1759
- WGK Germany
- 3 · 3
- RTECS
- 1750000 · BT1750000
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- HS Code
- 29239000 · 29239000
- Storage Class
- 8 B · 8B - Non-combustible corrosive hazardous materials
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1C
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 3.7% (10 of 268) of reports.
Danger
H302 (88.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P262, 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, P361+P364, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 268 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: 1-Octadecanaminium, N,N,N-trimethyl-, chloride
1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 21-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10127
Octadecyltrimethylammonium chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Cationic surfactants: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (88.1%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
Toxicology
Health EffectsQuaternium-10 may react to produce nitrosamines, which are believed to be carcinogenic. (L1890)
Exposure RoutesOral (A2880) ; inhalation (A2880) ; dermal (L1889)
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 Chloride...
Safe for use in cosmetics, with qualifications
While quaternium-10 itself is not toxic, it is a nitrosating agent. Nitrosating agents may decompose and/or react to cause nitrosamine contamination. Nitrosamines are produced from secondary amines and amides in the presence of nitrite ions and are believed to be carcinogenic. Once in the body, nitrosamines are activated by cytochrome P-450 enzymes. They are then believed to induce their carcinogenic effects by forming DNA adducts at the N- and O-atoms. (L1889, L1890, A2878, A2879, A2880)
Carcinogen ClassificationNot listed by IARC. Certain nitrosamines are classified by IARC as either probably or possibly carcinogenic to humans (Groups 2A and 2B, respectively). (L135)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BT1750000
- ridadr
- UN1759
- hs_code
- 29239000
- risk_code
- 20/21/22-36/37/38-21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xn
- safety_code
- 26-36/37/39-37/39-36/37
- hazard_class
- 8
- Storage Class
- 8B - Non-combustible corrosive hazardous materials
- Hazard statements
- H302+H312-H314-H410
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1C
- Precautionary statements
- P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/MetabolitesNitrosamines can enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. (A2878, A2879)
Uses & manufacturing
Uses
CIR ingredient: Steartrimonium Chloride
Quaternium-10 is a quaternary ammonium salt found in numerous cosmetics. (L1890)
U.S. Production2023: <75,000 lb
Household ProductsInformation on 43 consumer products that contain Steartrimonium chloride in the following categories is provided:
Use ClassificationCosmetics -> Preservative; Hair conditioning
General Manufacturing Information1-Octadecanaminium, N,N,N-trimethyl-, chloride (1:1): ACTIVE
Applications
UsesEmulsion (main components are high polymeric and cyclic silicones); forms a protective film to coat split ends; conditioning agent for rinses and shampoos; glazing agent for hair.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东安米化工科技有限公司0533-0533-2115911 13396436781 · [email protected]
杭州埃肯新材料有限公司15258847994
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海柏卡化学技术有限公司400-026-1533/(021) 6478-0600 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
Additional notes
DefinitionChEBI: Stearyltrimethylammonium chloride is an organic molecular entity.
Related reactions
12 records
Linked notes
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