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124303

Sigma-Aldrich

tert-Butyl phenyl carbonate

98%

Synonym(s):

1,1-Dimethylethyl phenyl carbonate, 1-tert-Butoxycarbonyloxybenzene, Phenyl tert-butyl carbonate

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About This Item

Linear Formula:
(CH3)3COCOOC6H5
CAS Number:
6627-89-0
Molecular Weight:
194.23
Beilstein:
2361602
EC Number:
229-601-8
MDL number:
MFCD00008804
UNSPSC Code:
12352100
PubChem Substance ID:
24847609
NACRES:
NA.22

Quality Level

100

Assay

98%

form

liquid

bp

83 °C/0.6 mmHg (lit.)

density

1.05 g/mL at 20 °C (lit.)

functional group

carbonate
phenoxy

SMILES string

CC(C)(C)OC(=O)Oc1ccccc1

InChI

1S/C11H14O3/c1-11(2,3)14-10(12)13-9-7-5-4-6-8-9/h4-8H,1-3H3

InChI key

UXWVQHXKKOGTSY-UHFFFAOYSA-N

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Application

tert-Butyl phenyl carbonate was used in determination of octanol-water partition coefficients by microemulsion electrokinetic chromatography. It was also used in the synthesis of 2-nitroindoles. It was used as reagent for mono-Boc protection of α,ω-diamines.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

213.8 °F - closed cup

Flash Point(C)

101.00 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

124303-VAR:
124303-500G:
124303-BULK:
124303-1KG:
124303-100G:
124303-25G:

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ2572
STBJ0367
STBH4881
STBG2328V
STBF6985V

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Organic Syntheses, 84, 209-209 (2007)
Jesper Østergaard et al.
Electrophoresis, 24(6), 1038-1046 (2003-03-27)
Microemulsion electrokinetic chromatography (MEEKC) was assessed as a tool for determination of octanol-water partition coefficients using 34 solutes encompassing 8 carbonate esters. It was confirmed that microemulsions containing 1.44-2.88% w/w SDS, 6.49% w/w 1-butanol, and 0.82% w/w n-heptane constitute a
Synthesis of 2-nitroindoles via the Sundberg indole synthesis.
Pelkey ET and Gribble GW.
Tetrahedron Letters, 38(32), 5603-5606 (1997)

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