Basic information
- CAS
68835-89-2- Standard SMILES
CCC(C)(C)OC(=O)OC(=O)OC(C)(C)CC- InChIKey
PGWKKYVDHYLHNF-UHFFFAOYSA-N- Molecular formula
- C12H22O5
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.1467238
Names & identifiers
- Preferred name
- 1,3-Bis(1,1-dimethylpropyl) dicarbonate
- IUPAC
- 2-methylbutan-2-yl 2-methylbutan-2-yloxycarbonyl carbonate
- English name
- Di-tert-amyl dicarbonate
- Molecular formula
- C12H22O5
- Molecular weight
- 246.3
Names & synonyms
68835-89-2RefChem:4139041,3-Bis(1,1-dimethylpropyl) dicarbonateDi-tert-amyl dicarbonateDi-tert-pentyl dicarbonateBIS(2-METHYLBUTAN-2-YL) DICARBONATE2-methylbutan-2-yl 2-methylbutan-2-yloxycarbonyl CarbonateMFCD00038320Pyrocarbonic Acid Di-tert-amyl EsterDi-tert-amyl pyrocarbonateDicarbonic acid, bis(1,1-dimethylpropyl) esterdi-t-amyl pyrocarbonate
Show more names
DI-AMOC(AMOC)2OC12H22O5PyrocarbonicacidamylesterDi-tert-amylDicarbonate>bis-tert-pentyl dicarbonate
SCHEMBL47990Di-tert-amyl dicarbonate, 97%DTXSID70988543AKOS024259135AS-60215SY052112CS-0204710P1356
Database identifiers
- CAS
68835-89-2- PubChem CID
- 4586057
- DTXSID
DTXSID70988543- Nikkaji
- J332.635G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 70 °C0.05 · 70 °C0.05 mm Hg(lit.)
- Density
- 1.006 g/mL · 1.006 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.422(lit.)
- Flash point
- 220 °F · 220 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
- F
- 9 · 9
- HS Code
- 2917.19 · 2917.19.7050
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 9
- wgk
- 3
- hs_code
- 2917.19.7050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Suppliers57 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
Related reactions
3 records
Compound notes
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