Tert-dodecylmercaptan

t-DDM
TDM
tert-Dodecanethiol
tert-Dodecyl mercaptan
tert-Dodecyl thiol
tert-Lauryl mercaptan

Property	Value
InChI2D key string chemrof:inchi2d_key_string	YAJYJWXEWKRTPO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3
IUPAC name chemrof:IUPAC_name	2,3,3,4,4,5-hexamethyl-2-hexanethiol, 2,3,3,4,4,5-hexamethylhexane-2-thiol
Molecular formula chemrof:molecular_formula	C12H26S
Molecular mass chemrof:molecular_mass	202.407
Monoisotopic mass chemrof:monoisotopic_mass	202.175522
SMILES string chemrof:smiles_string	CC(C)C(C)(C)C(C)(C)C(C)(C)S

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=25103-58-6	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.042.366	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID1025221	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1325985	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G00MDQ58TB	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J76.265B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/32793	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3082	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q2405872	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
4d58b204-d1cf-43f7-947b-e0c6f56d5cfe	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
9db411ad-d8b9-4bc8-924f-8545eec92e39	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
3241f42e-f0a6-454a-b698-89fb9f53bff3	Environmental → Air → Indoor	EF 3.1	kg	4
9d87ee88-f5f3-4d8b-b2df-7972c35ac5c3	Environmental → Air → Long-term	EF 3.1	kg	0
93158628-bb52-4805-bbef-7d9028119bb6	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
ea601893-5463-43b3-9338-5f4428dbfdeb	Environmental → Air → Unknown	EF 3.1	kg	4
beb71c75-c2f6-4e67-a617-f2ee52829add	Environmental → Ground → Agricultural	EF 3.1	kg	4
a182fa62-c45d-43b5-af2e-8e1a3c099bca	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
cd832627-5814-49bc-a2a4-8ec985193e25	Environmental → Ground → Unknown	EF 3.1	kg	4
2515a504-2780-4eea-bb24-1899c4086bd1	Environmental → Water → Long-term	EF 3.1	kg	0
0c872a29-c55c-4a12-9edb-ccea5bb38aa1	Environmental → Water → Ocean	EF 3.1	kg	4
6d779deb-fba1-4646-9375-9d8cab1dcb4c	Environmental → Water → Surface water	EF 3.1	kg	4
0f7e9e5a-e7cd-44b3-a972-23b7f71efd66	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
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}

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Tert-dodecylmercaptan

Identity

Structure

Alternative labels

Properties

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Elementary flows

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