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471712

tert-Butanol

anhydrous, ≥99.5%

Synonym(s):

2-Methyl-2-propanol, tert-Butyl alcohol, Trimethyl carbinol

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About This Item

Linear Formula:
(CH3)3COH
CAS Number:
Molecular Weight:
74.12
UNSPSC Code:
12352001
NACRES:
NA.21
PubChem Substance ID:
EC Number:
200-889-7
Beilstein/REAXYS Number:
906698
MDL number:
Assay:
≥99.5%
Grade:
anhydrous
Bp:
83 °C (lit.)
Vapor pressure:
31 mmHg ( 20 °C), 44 mmHg ( 26 °C)
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grade

anhydrous

Quality Segment

vapor density

2.5 (vs air)

vapor pressure

31 mmHg ( 20 °C), 44 mmHg ( 26 °C)

assay

≥99.5%

form

solid or liquid

autoignition temp.

896 °F

expl. lim.

8 %

impurities

<0.005% water

evapn. residue

<0.0003%

refractive index

n20/D 1.387 (lit.)

pH

7 (20 °C)

bp

83 °C (lit.)

mp

23-26 °C (lit.)

solubility

water: miscible

density

0.775 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)O

InChI

1S/C4H10O/c1-4(2,3)5/h5H,1-3H3

InChI key

DKGAVHZHDRPRBM-UHFFFAOYSA-N

General description

tert-Butanol (tBA) is a tertiary alcohol. It undergoes dehydration by reactive distillation in the presence of solid acid catalyst to form isobutylene with high selectivity. Lipase-mediated alcoholysis of soybean oil deodorizer distillate (SODD) has been conducted in tBA (as reaction medium) to generate biodiesel. Formation of 2-tert-butyl-p-cresol (TBC), 2,6-di-tert-butyl-p-cresol (DTBC) and tert-butyl-p-tolyl ether has been reported when p-cresol undergoes butylation by tBA in the presence of 12-tungstophosphoric acid supported on zirconia (TPA/ZrO2) catalyst. The interaction behavior of tBA on the Si (001)-(2×1) surface has been assessed by using the ab-initio density functional theory (DFT) based on pseudopotential approach.

Application


  • Synthesis of Ribose - Oleic Acid Esters in the Presence- and Absence of Candida antarctica Lipase B.: This study investigates the synthesis of ribose-oleic acid esters using tert-Butanol as a solvent, both with and without the presence of Candida antarctica Lipase B. The research explores the efficiency and effectiveness of the enzyme-catalyzed process, highlighting the impact of tert-Butanol on the synthesis reaction. The findings contribute to the understanding of esterification processes in analytical chemistry and have potential applications in developing new synthetic methods (Çetinkaya et al., 2020).


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This Item
2412736053850621
grade

anhydrous

grade

-

grade

ACS reagent

grade

analytical standard

assay

≥99.5%

assay

≥99% (GC)

assay

≥99.0%

assay

≥99.8% (GC)

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

100

solubility

water: miscible

solubility

-

solubility

-

solubility

-

form

solid or liquid

form

liquid

form

solid or liquid

form

-

impurities

<0.005% water

impurities

≤0.001% free acid (as C3H7COOH), ≤0.001% non-volatile matter, ≤0.1% water (Karl Fischer)

impurities

≤0.001 meq/g Titr. acid, ≤0.01% formaldehyde, ≤0.1% water

impurities

-


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pictograms

FlameExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system, Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

59.0 °F - closed cup

flash_point_c

15 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter



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Questions

1–3 of 3 Questions  
  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer
    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/418/501/product-dating-information-06-25-mk.pdf

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  2. is it packed in a glass bottle with AcroSeal cap?

    1 answer
    1. This product is packaged in a 100ml amber glass bottle with a SureSeal cap with septum and a 33mm red polypropylene cap with a PTFE liner. The AcroSeal system is from another manufacturer.

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  3. How is shipping temperature determined? And how is it related to the product storage temperature?

    0 answers

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