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(2S)-1-tert-butoxypropan-2-ol, also known as (S)-tert-butyl 3-hydroxy-2-methylpropanoate, is a chiral alcohol with the molecular formula C7H16O2. It is a colorless liquid characterized by a fruity odor and is soluble in water and most organic solvents. This versatile compound is widely used in various industrial and commercial applications, including organic synthesis, pharmaceuticals, fragrances, flavors, polymer production, and as a stabilizer in coatings and adhesives.

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  • 136656-76-3 Structure
  • Basic information

    1. Product Name: (2S)-1-tert-butoxypropan-2-ol
    2. Synonyms: (2S)-1-tert-butoxypropan-2-ol;(S)-1-(tert-Butoxy)propan-2-ol
    3. CAS NO:136656-76-3
    4. Molecular Formula: C7H16O2
    5. Molecular Weight: 132.20074
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 136656-76-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 155.3°C at 760 mmHg
    3. Flash Point: 49.7°C
    4. Appearance: /
    5. Density: 0.89g/cm3
    6. Vapor Pressure: 1.11mmHg at 25°C
    7. Refractive Index: 1.421
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 14.51±0.20(Predicted)
    11. CAS DataBase Reference: (2S)-1-tert-butoxypropan-2-ol(CAS DataBase Reference)
    12. NIST Chemistry Reference: (2S)-1-tert-butoxypropan-2-ol(136656-76-3)
    13. EPA Substance Registry System: (2S)-1-tert-butoxypropan-2-ol(136656-76-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 136656-76-3(Hazardous Substances Data)

136656-76-3 Usage

Uses

Used in Organic Synthesis:
(2S)-1-tert-butoxypropan-2-ol is used as a reagent in organic synthesis for its ability to participate in various chemical reactions, facilitating the formation of desired products.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, (2S)-1-tert-butoxypropan-2-ol is used as an intermediate in the production of drugs, leveraging its reactivity and solubility properties to create medicinal compounds.
Used in Fragrance and Flavor Production:
(2S)-1-tert-butoxypropan-2-ol is used as a component in the creation of fragrances and flavors due to its fruity odor, enhancing the sensory qualities of consumer products.
Used in Polymer Production:
(2S)-1-tert-butoxypropan-2-ol is utilized in the production of polymers, where its chemical properties contribute to the formation of polymeric materials with specific characteristics.
Used as a Stabilizer in Coatings and Adhesives:
(2S)-1-tert-butoxypropan-2-ol is used as a stabilizer in the formulation of coatings and adhesives to improve their performance and durability, ensuring a longer shelf life and better resistance to environmental factors.

Check Digit Verification of cas no

The CAS Registry Mumber 136656-76-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,6,6,5 and 6 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 136656-76:
(8*1)+(7*3)+(6*6)+(5*6)+(4*5)+(3*6)+(2*7)+(1*6)=153
153 % 10 = 3
So 136656-76-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3/t6-/m0/s1

136656-76-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (2S)-1-[(2-methylpropan-2-yl)oxy]propan-2-ol

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:136656-76-3 SDS

136656-76-3Relevant articles and documents

A Facile Chemoenzymatic Route to Enantiomerically Pure Oxiranes: Building Blocks for Biologically Active Compounds

Goergens, Ulrich,Schneider, Manfred P.

, p. 1064 - 1066 (2007/10/02)

The enantiomerically pure building blocks (R)- and (S)-1-4 were prepared both by enantioselective, enzymatic hydrolysis and by acyl transfer, and subsequently converted into the corresponding enantiomerically pure oxiranes (R)-and (S)-7 and 8.

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