# Benzododecinium Chloride CAS: 139-07-1 PubChem CID: 8753 InChIKey: JBIROUFYLSSYDX-UHFFFAOYSA-M Wikidata: Q408727 Molecular formula: C₂₁H₃₈ClN Molar mass: 340.0 g/mol IUPAC: benzyl-dodecyl-dimethylazanium chloride SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-] InChI: InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1 PSA: 0 A^2 Hydrogen bond donors: 0 Hydrogen bond acceptors: 1 Rotatable bonds: 13 Heavy atoms: 23 3D structure: 61 atoms, 60 bonds ## About the compound Benzododecinium Chloride is a chemical compound registered under CAS number 139-07-1. Molecular formula: C₂₁H₃₈ClN. Molar mass: 340.0 g/mol. The full systematic IUPAC name is: benzyl-dodecyl-dimethylazanium chloride. The molecule contains 61 atoms connected by 60 chemical bonds. Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molecule/139-07-1/ ## GHS classification Signal word: Danger Pictograms: GHS05, GHS06, GHS07, GHS08, GHS09 Hazard statements (H): H302: Harmful if swallowed H312: Harmful in contact with skin H314: Causes severe skin burns and eye damage H400: Very toxic to aquatic life H410: Very toxic to aquatic life with long lasting effects H373: May cause damage to organs through prolonged or repeated exposure H330: Fatal if inhaled Precautionary statements (P): P260: Do not breathe dust/fume/gas/mist/vapours/spray P264: Wash thoroughly after handling ## Synonyms - 139-07-1 - N-Benzyl-N,N-dimethyldodecan-1-aminium chloride - Benzododecinium chloride - Benzyldimethyldodecylammonium chloride - Cequartyl A - Benzyldodecyldimethylammonium chloride - Triton K60 - Lauryldimethylbenzylammonium chloride - dodecyldimethylbenzylammonium chloride - Caswell No. 073A - Caswell No. 416C - Dimethyldodecylbenzylammonium chloride ## Regulatory compliance checklist Status based on: ADR 2025 (Table A), REACH Annex XVII, CLP Annex VI (harmonised classification), hazard class from the m14-spill DB, SVHC, GIS and the Polish OEL list. Principle: no data = no claim (we do NOT declare "no restrictions" without a basis). 4 required / 12 items [required] SDS (Safety Data Sheet) available (sds) How to comply: Requirement: current SDS compliant with Reg. 1907/2006 (REACH) Annex II, 16-section format. Source / form: https://echa.europa.eu/information-on-chemicals [required] Compliant CLP label (pictograms + signal word + H/P) (clp_label) How to comply: The label must include: GHS pictograms, the signal word (Danger/Warning), hazard (H) and precautionary (P) statements, and manufacturer details. Required since 2010 (substances) and 2015 (mixtures). Source / form: https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272 [required] Chemical OSH training (substance-specific) (bhp_training) How to comply: Laboratory staff: initial training (general induction + job-specific) + refresher training every 5 years (or every 3 for engineering/technical positions). Documentation kept in personnel files. Source / form: https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20040180169 [not applicable] BDO registration (Polish Waste Database) (bdo_registration) How to comply: The verified GHS classification does not indicate classes resulting in hazardous waste — BDO registration for this substance is not required. Verify the EWC code for the specific waste form. Source / form: https://bdo.mos.gov.pl/ [to be verified] ADR transport (international agreement) (adr_transport) How to comply: No ADR data in the MOL-GOD dataset for this CAS number. Do NOT assume there are no restrictions — before shipping, verify the transport classification in ADR 2025 (Table A) and in section 14 of the safety data sheet (SDS). Source / form: https://unece.org/transport/dangerous-goods/adr-2025-files [conditional] REACH registration (>1 t/year EU import) (reach_registration) How to comply: Importers/manufacturers ≥1 tonne/year must register the substance with ECHA (technical dossier + Chemical Safety Report if ≥10 t). Check the ECHA Annex VI / registered substances list. Source / form: https://echa.europa.eu/regulations/reach/registration [to be verified] SVHC notification (Substances of Very High Concern) (svhc_declaration) How to comply: SVHC status not verified against the available dataset — check the current ECHA candidate list; do not assume the absence of an entry. Source / form: https://echa.europa.eu/candidate-list-table [to be verified] REACH Annex XIV (authorisation list) (reach_annex_xiv) How to comply: Not verified against the ECHA Authorisation List — check REACH Annex XIV. Source / form: https://echa.europa.eu/authorisation-list [to be verified] REACH Annex XVII (use/marketing restrictions) (reach_annex_xvii) How to comply: No entry in the harmonised classification dataset (CLP Annex VI) for this CAS number — status of entries 28–30 (CMR ban) NOT VERIFIED; do not assume the restriction does not apply. The dataset of Annex XVII restrictions is also incomplete — check the consolidated Annex XVII and the harmonised CMR classification on the ECHA website. Source / form: https://echa.europa.eu/substances-restricted-under-reach [to be verified] OEL — Occupational Exposure Limit in the working environment (nds_workplace) How to comply: No NDS data in the MOL-GOD dataset (incomplete set — ~41 of ~600 substances in the list). Absence does NOT mean there is no NDS — check the full list in Dz.U. 2024 poz. 1017 (Regulation of the Ministry of Family and Social Policy of 4 September 2024), and where none exists apply the OEL from EU directives or values recommended by NIOSH/ACGIH. Source / form: https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20240001017 [to be verified] GIS register (precursors / psychotropics) (gis_register) How to comply: Does not appear in the available working set of precursors (list incomplete). Absence is NOT a confirmation — verify against Annex I of Reg. (EC) 273/2004 and the GIS list before placing on the market. Source / form: https://www.gov.pl/web/gis [required] Safety Data Sheet in Polish (sds_pl) How to comply: Requirement: SDS in Polish for trade in PL (Art. 31 REACH + Chemical Substances Act Art. 17). Source / form: https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20012112135 ## Data sources - PubChem CID 8753: https://pubchem.ncbi.nlm.nih.gov/compound/8753 - Wikidata: https://www.wikidata.org/wiki/Q408727 - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=139-07-1 - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=139-07-1 --- Standalone HTML page: https://molgod.org/molecule/139-07-1/ Markdown version: https://molgod.org/molecule/139-07-1.md JSON API: https://molgod.org/wp-json/molgod/v1/molecule/139-07-1 Last updated: 2026-10-17 Generator: MOL-GOD v3.12.33