Di-tert-butyl Dicarbonate
fo-f4558144b180669f
Identity
- Type
- Neutral molecule
- CAS
- 24424-99-5
- EC
- 246-240-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
21- (2-Methylprop-2-yl)oxidanecarboxylicanhydride
- (Boc)2O
- Bis(1,1-dimethylethyl) dicarbonate
- Bis(tert-butoxycarbonyl) ether
- bis(tert-butoxycarbonyl)oxide
- Bis(tert-butyl) dicarbonate
- Boc anhydride
- BOC-anhydride
- Boc2O
- Di(tert-butyl) carbonate
- Di-tert-butyl oxydiformate
- Di-tert-butyl pyrocarbonate
- Di-tert-butyldicarbonate
- Dicarbonic acid, 1,3-bis(1,1-dimethylethyl) ester
- Dicarbonic acid, bis(1,1-dimethylethyl) ester
- Formic acid, oxydi-, di-tert-butyl ester
- Pyrocarbonic acid di-tert-butyl ester
- tert-Butoxycarbonyl anhydride
- tert-Butoxycarbonyl tert-butyl carbonate
- tert-Butoxycarboxylic anhydride
- tert-Butyl dicarbonate
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DYHSDKLCOJIUFX-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3 |
| IUPAC name chemrof:IUPAC_name | Di-tert-butyl Dicarbonate |
| Molecular formula chemrof:molecular_formula | C10H18O5 |
| Molecular mass chemrof:molecular_mass | 218.249 |
| Monoisotopic mass chemrof:monoisotopic_mass | 218.11542, 218.115424 |
| SMILES string chemrof:smiles_string | CC(C)(C)OC(=O)OC(=O)OC(C)(C)C |
Known URLs
11Where 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 |
|---|---|---|
| beilstein | beilstein:1911173 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=24424-99-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48500 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.042.021 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4051904 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z10Q236C3G | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J88.260G | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=87201 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/90495 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q175718 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Di-tert-butyl_dicarbonate | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 542e44b8-2f65-4012-90f9-81d79f7311c4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 65b99231-ff05-4742-9826-18abb09876d0 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 0847c272-2279-4f9a-9075-840c528bff2b | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 3f2029d0-969d-44cd-abe3-0cb75377b7c9 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c0303931-0c85-41d6-aae8-40041e6371c7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 755e7203-5195-43d1-b90c-79b04fcfe1ec | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| be9d09c4-9086-4071-b0d2-487745721021 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 6393716a-71ac-49ca-b724-d3d15a04d395 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| eab706c7-0406-41f2-ad9f-9bd40a563ca4 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 751e6877-c68f-496b-b47e-26bb43490a2c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ac883b3c-e4f7-40ed-ab66-d3852be0d107 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 6eacf851-34cc-4ea0-8cf0-73fe7636f323 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| fc7515cf-4019-4e72-993e-4526f1b8ca13 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works