Basic information
- CAS
959-55-7- Standard SMILES
CCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]- InChIKey
PXFDQFDPXWHEEP-UHFFFAOYSA-M- Molecular formula
- C17H30ClN
- Average molar mass
- 283.9 g/mol
- Monoisotopic mass
- 283.2066777
Names & identifiers
- Preferred name
- Benzyldimethyloctylammonium chloride
- IUPAC
- benzyl-dimethyl-octylazanium chloride
- English name
- benzyldimethyloctylammonium chloride
- Molecular formula
- C17H30ClN
- Molecular weight
- 283.88
Names & synonyms
Benzyldimethyloctylammonium chlorideBenzenemethanaminium, N,N-dimethyl-N-octyl-, chlorideN-Benzyl-N,N-dimethyloctan-1-aminium chlorideOctyl-dimethyl-benzylammonium chlorideUNII-OC19CZY82TEINECS 213-502-1OC19CZY82TN,N-Dimethyl-N-octylbenzenemethanaminium chlorideCAPRYLYLALKONIUM CHLORIDEN-Caprylyl-N,N-dimethylbenzylammonium chlorideAMMONIUM, BENZYLDIMETHYLOCTYL-, CHLORIDEDTXSID6041634
Show more names
BAC(C8)Benzyloctyldimethylaminium·chlorideBenzyldimethyloctylaminium·chloridebenzyl-dimethyl-octylazanium:chloridebenzyldimethyl-n-octylammonium chlorideN-Benzyl-N,N-dimethyl-N-octylammonium chlorideBenzyldimethyloctylammonium chloride>=96.0% (AT)
Benzenemethanaminium, N,N-dimethyl-N-octyl-, chloride (1:1)octylbenzyldimethylammonium chlorideoctyldimethylbenzylammonium chlorideDIMETHYLBENZYL-N-OCTYLAMMONIUM CHLORIDEN-OCTYL DIMETHYL BENZYL AMMONIUM CHLORIDERefChem:118939DTXCID4021634CAPRYLYLALKONIUM CHLORIDE [INCI]
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- form
- powder
- BRN
- 3771220 · 3771220
- Cosmetics Ingredients Functions
- HAIR CONDITIONING
- InChI
- 1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1
- InChIKey
- PXFDQFDPXWHEEP-UHFFFAOYSA-M
- SMILES
- [Cl-].CCCCCCCC[N+](C)(C)Cc1ccccc1
- FDA UNII
- 19 CZY82T · OC19CZY82T
- EPA Substance Registry System
- Benzenemethanaminium, N,N-dimethyl-N-octyl-, chloride (959-55-7)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Benzenemethanaminium, N,N-dimethyl-N-octyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanaminium, N,N-dimethyl-N-octyl-, 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)
Benzenemethanaminium, N,N-dimethyl-N-octyl-, 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.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BO7040000
- ridadr
- UN 2923 8/PG 3
- Toxicity
- skn-rbt 1 mg/24H OYYAA2 6,329,72
- risk_code
- 21/22-34-50
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <75,000 lb
Industry UsesIntermediate
Household ProductsInformation on 4 consumer products that contain Caprylylalkonium Chloride in the following categories is provided:
General Manufacturing Information
Textiles, apparel, and leather manufacturing
Benzenemethanaminium, N,N-dimethyl-N-octyl-, chloride (1:1): ACTIVE
Suppliers24 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州埃肯新材料有限公司15258847994 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
1 records
Compound notes
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