# Dimethyldioctadecylammonium bromide CAS: 3700-67-2 PubChem CID: 77293 InChIKey: PSLWZOIUBRXAQW-UHFFFAOYSA-M Wikidata: Q27295043 Molecular formula: C38H80BrN Molar mass: 631.0 g/mol IUPAC: dimethyl(dioctadecyl)azanium bromide SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-] InChI: InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1 PSA: 0 A^2 Hydrogen bond donors: 0 Hydrogen bond acceptors: 1 Rotatable bonds: 34 Heavy atoms: 40 3D structure: 120 atoms, 118 bonds ## About the compound Dimethyldioctadecylammonium bromide is a chemical compound registered under CAS number 3700-67-2. Molecular formula: C38H80BrN. Molar mass: 631.0 g/mol. The full systematic IUPAC name is: dimethyl(dioctadecyl)azanium bromide. The molecule contains 120 atoms connected by 118 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/3700-67-2/ ## GHS classification Signal word: Warning Pictograms: GHS07 Hazard statements (H): H315: Causes skin irritation H319: Causes serious eye irritation H335: May cause respiratory irritation Precautionary statements (P): P261: Avoid breathing dust/fume/gas/mist/vapours/spray ## Synonyms - Dimethyldioctadecylammonium bromide - 3700-67-2 - Distearyldimethylammonium bromide - Z5T47R065A - dioctadecyldimethylammonium bromide - RefChem:134337 - DTXCID701023480 - 223-037-6 - n,n-dimethyl-n-octadecyloctadecan-1-aminium bromide - 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, bromide - dimethyl(dioctadecyl)azanium;bromide - MFCD00041975 ## 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 77293: https://pubchem.ncbi.nlm.nih.gov/compound/77293 - Wikidata: https://www.wikidata.org/wiki/Q27295043 - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=3700-67-2 - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=3700-67-2 --- Standalone HTML page: https://molgod.org/molecule/3700-67-2/ Markdown version: https://molgod.org/molecule/3700-67-2.md JSON API: https://molgod.org/wp-json/molgod/v1/molecule/3700-67-2 Last updated: 2026-10-17 Generator: MOL-GOD v3.12.33