Reaction Mass Of 1,3-bis[2-(terbutylperoxy)propan-2-yl]benzene And 1,4-bis[2-(terbutylperoxy)propan-2-yl]benzene

Type: Neutral molecule
CAS: 25155-25-3
EC: 246-678-3
Origin: EF 3.1 hybrid_name_cas_v1
Changes: 55 across every transformer

This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

1,1′-[1,3(or 1,4)-Phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl) peroxide]
1,3(4)-Bis(tert-butylperoxyisopropyl)benzene
1,3(4)-Bis[1-(tert-butylperoxy)-1-methylethyl]benzene
14-40B
14S-FL
2,2′-Bis(tert-butylperoxy)diisopropylbenzene
96BIBP
ACEOX BIBP
Antioxidant 14-40B
BIBP
Bis(2-tert-butylperoxyisopropyl)benzene
Bis(tert-butyldioxy)diisopropylbenzene
Bis(tert-butyldioxyisopropyl)benzene
Bis(tert-butylperoxy)diisopropylbenzene
Bis(tert-butylperoxyisopropyl)benzene
Bis[1-(tert-butyldioxy)-1-methylethyl]benzene
Bis[α-(tert-butylperoxy)isopropyl]benzene
BPIB
Di(2-t-butylperoxyisopropyl)benzene
Di(tert-butylperoxyisopropyl)benzene
Di-tert-butylperoxy diisopropylbenzene
E(VC)D 40
F 40ED
F 40P-SP2
F Flakes
Farida BIPB 40A
Interox DIPP 40IC/G
KF-B 50CC
Luperco 802-40KE
Luperox F
Luperox F Flakes
Luperox F-CST
Novoperoks BP 40
Novoperox PB 40
Perbutyl P 40MB
Perbutyl PT
Perhexa F 40
Peroxan BIB
Peroxan BIB 40EV-G
Peroxan BIB 40P
Peroxan BIB 40PE-G
Peroxide, (phenylenediisopropylidene)bis[tert-butyl
Peroxide, 1,1′-[1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[2-(1,1-dimethylethyl)
Peroxide, [1,3(or 1,4)-phenylenebis(1-methylethylidene)]bis[(1,1-dimethylethyl)
Peroximon F
Peroximon F 40
Peroximon F 40KEP
Peroximon F 40MG
Peroximon F 40SRG
Peroximon PK
Polydispersion T-VC-D 40P
Polyvel CR 5P
PX 14SFL
Retilox F
Rhenocure VC 40CC
Trigonox 265-50B
Varox VC-R
VC 40CC
Vul-Cup
Vul-cup 40C
Vul-Cup 40KE
Vul-Cup 40SI
Vul-Cup KD 60
Vul-Cup R
α,α,-Di(tert-butylperoxy)diisopropylbenzene
α,α′-Bis(tert-butylperoxy)diisopropylbenzene
α,α′-Di(tert-butylperoxy)diisopropylbenzene
α,α′-Di(tert-butylperoxyisopropyl)benzene
α′,α′-Bis(tert-butylperoxy)diisopropylbenzene

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CCNDOQHYOIISTA-UHFFFAOYSA-N, GWQOYRSARAWVTC-UHFFFAOYSA-N, OJJMCWWXPCNCOT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C20H34O4/c1-17(2,3)15(21)19(7,23)13-11-9-10-12-14(13)20(8,24)16(22)18(4,5)6/h9-12,15-16,21-24H,1-8H3, InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3, InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-13-11-12-14-16(15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3
IUPAC name chemrof:IUPAC_name	1,2-bis(1-tert-butylperoxy-1-methyl-ethyl)benzene, 1,2-bis(2-tert-butyldioxypropan-2-yl)benzene, 1,2-bis(2-tert-butylperoxypropan-2-yl)benzene, 1,4-bis(1-tert-butylperoxy-1-methyl-ethyl)benzene, 1,4-bis(2-tert-butyldioxypropan-2-yl)benzene, 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene, 2-[2-(1,2-dihydroxy-1,3,3-trimethyl-butyl)phenyl]-4,4-dimethyl-pentane-2,3-diol, 2-[2-(2,3-dihydroxy-4,4-dimethylpentan-2-yl)phenyl]-4,4-dimethylpentane-2,3-diol, 2-[2-[4,4-dimethyl-2,3-bis(oxidanyl)pentan-2-yl]phenyl]-4,4-dimethyl-pentane-2,3-diol
Molecular formula chemrof:molecular_formula	C20H34O4
SMILES string chemrof:smiles_string	CC(C)(C)C(C(C)(C1=CC=CC=C1C(C)(C(C(C)(C)C)O)O)O)O, CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C, CC(C)(C)OOC(C)(C)C1=CC=CC=C1C(C)(C)OOC(C)(C)C

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=25155-25-3	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.018.618	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID60881110	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185297	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/431KDL2BJM	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J155.570G	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J155.572C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/11856263	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/17721	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/53400407	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3106	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27258595	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
68421e89-5d51-450a-84d1-5440cfb8463d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
fe408fd3-3e97-4b3b-b369-7b8852322f40	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
50a67bf7-1eb2-47cf-9b05-c8766a02aa92	Environmental → Air → Indoor	EF 3.1	kg	4
c8253176-2235-4461-a09d-a254f7f18a14	Environmental → Air → Long-term	EF 3.1	kg	0
9bd06f3b-2a69-49ae-89b8-ab7a4d5463d9	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
3d543775-09b7-4303-9575-5be77b36a201	Environmental → Air → Unknown	EF 3.1	kg	4
10b69c6c-d565-4dc2-b880-97240e4ce2f8	Environmental → Ground → Agricultural	EF 3.1	kg	4
48e63347-96c3-4321-b0ae-0720ad238f74	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
90717e90-ea31-450c-84c1-16d4afc8f823	Environmental → Ground → Unknown	EF 3.1	kg	4
22272752-1f71-4ba3-8c36-5b933b25ec73	Environmental → Water → Long-term	EF 3.1	kg	0
f957f269-6187-452a-a708-851ca74a57f9	Environmental → Water → Ocean	EF 3.1	kg	4
ce04c8bf-6690-4e44-afee-aa65ed5abe4c	Environmental → Water → Surface water	EF 3.1	kg	4
4d4df96f-1d68-417a-be10-17148273a86d	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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Reaction Mass Of 1,3-bis[2-(terbutylperoxy)propan-2-yl]benzene And 1,4-bis[2-(terbutylperoxy)propan-2-yl]benzene

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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