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  • 598-32-3 Structure
  • Basic information

    1. Product Name: 3-BUTEN-2-OL
    2. Synonyms: 3-BUTENE-2-OL;3-BUTEN-2-OL;1-Buten-3-ol~Methyl vinyl carbinol;3-Buten-2-ol (1-3);3-Buten-2-ol,98%;3-Buten-2-ol,97%;3-BUTEN-2-OL 95+%;Methyl vinyl carbinol: (3-Buten-2-ol)
    3. CAS NO:598-32-3
    4. Molecular Formula: C4H8O
    5. Molecular Weight: 72.11
    6. EINECS: 209-929-8
    7. Product Categories: Halogenated Heterocycles
    8. Mol File: 598-32-3.mol
    9. Article Data: 99
  • Chemical Properties

    1. Melting Point: -100 °C
    2. Boiling Point: 96-97 °C(lit.)
    3. Flash Point: 62 °F
    4. Appearance: Clear colorless/Liquid
    5. Density: 0.832 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 24.4mmHg at 25°C
    7. Refractive Index: n20/D 1.415(lit.)
    8. Storage Temp.: Flammables area
    9. Solubility: Chloroform, Methanol (Sparingly)
    10. PKA: 14.49±0.20(Predicted)
    11. Water Solubility: Fully miscible with water.
    12. BRN: 1361410
    13. CAS DataBase Reference: 3-BUTEN-2-OL(CAS DataBase Reference)
    14. NIST Chemistry Reference: 3-BUTEN-2-OL(598-32-3)
    15. EPA Substance Registry System: 3-BUTEN-2-OL(598-32-3)
  • Safety Data

    1. Hazard Codes: F,Xn,Xi
    2. Statements: 11-20-36/37/38
    3. Safety Statements: 16-26-36-33-7/9
    4. RIDADR: UN 1987 3/PG 2
    5. WGK Germany: 3
    6. RTECS: EM9275050
    7. TSCA: Yes
    8. HazardClass: 3
    9. PackingGroup: II
    10. Hazardous Substances Data: 598-32-3(Hazardous Substances Data)

598-32-3 Usage

Chemical Properties

clear colorless liquid

Uses

3-Buten-2-ol is a useful compound in organic synthesis.

General Description

3-Buten-2-ol is a flavor and fragrance standard provided by Sigma-Aldrich?. Flavors and fragrances are widely used to add taste and/or smell to products without aroma, to mask unpleasant odors and to maintain stability of original flavor.

Hazard

50 ppm for 15 minutes causes eye irritation; A skin and strong eye irritant;

storage

Store in cool. Keep container tightly closed in a dry and well-ventilated place. Store away from oxidizing agent.

Check Digit Verification of cas no

The CAS Registry Mumber 598-32-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,9 and 8 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 598-32:
(5*5)+(4*9)+(3*8)+(2*3)+(1*2)=93
93 % 10 = 3
So 598-32-3 is a valid CAS Registry Number.
InChI:InChI=1/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3/t4-/m0/s1

598-32-3 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Detail
  • Alfa Aesar

  • (L14787)  3-Buten-2-ol, 97%   

  • 598-32-3

  • 5g

  • 227.0CNY

  • Detail
  • Alfa Aesar

  • (L14787)  3-Buten-2-ol, 97%   

  • 598-32-3

  • 25g

  • 812.0CNY

  • Detail

598-32-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name but-3-en-2-ol

1.2 Other means of identification

Product number -
Other names methylvinylmethanol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
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:598-32-3 SDS

598-32-3Relevant articles and documents

-

Fuchs,Van-derWerf

, p. 5917 (1952)

-

Evidence for a Concerted SN2' Mechanism in the Gas-Phase Acid-induced Nucleophilic Substitutions on Allylic Substrates

Dezi, Emanuela,Lombardozzi, Antonietta,Pizzabiocca, Adriano,Renzi, Gabriele,Speranza, Maurizio

, p. 547 - 548 (1995)

Gas phase nucleophilic substitution on oxygen-protonated but-1-en-3-ol and trans-but-2-en-1-ol by methanol proceeds via the concerted SN2' mechanism in competition with the classical SN2 mechanism.

THE cis REDUCTION OF 4-(TRIMETHYLSILYL)-3-BUTYN-2-OL WITH LITHIUM ALUMINIUM HYDRIDE

Mancini, Michael L.,Honek, John F.

, p. 4295 - 4298 (1983)

A systematic study led to a method for the preparation of (Z)-4-(trimethylsilyl)-3-buten-2-ol (2) in at least 99percent purity by the reduction of the alkyne 4-(trimethylsilyl)-3-butyn-2-ol (1) with lithium aluminium hydride (LAH) as a clear solvate in ether.

Probing Molecular Motion and Chemical Reactions inside the Chiral Tri-o-thymotide Clathrate Cavity by Solid State NMR Techniques

Facey, Glenn,Ripmeester, John A.

, p. 1585 - 1587 (1990)

Solid state NMR techniques offer a non-destructive alternative to wet chemistry methods in following enantiomeric excess and reactions in chiral clathrates, and show that the two optically distinct populations, one of which cannot be defined by X-ray diffraction, can be characterized by their distinct dynamic behaviour.

Vapor-phase dehydration of 1,4-butanediol to 1,3-butadiene over Y2Zr2O7 catalyst

Matsuda, Asami,Matsumura, Yoshitaka,Sato, Satoshi,Yamada, Yasuhiro

, (2021/09/16)

Vapor-phase catalytic dehydration of 1,4-butanediol (1,4-BDO) was investigated over Y2O3-ZrO2 catalysts. In the dehydration, 1,3-butadiene (BD) together with 3-buten-1-ol (3B1OL), tetrahydrofuran, and propylene was produced depending on the reaction conditions. In the dehydration over Y2O3-ZrO2 catalysts with different Y contents at 325°C, Y2Zr2O7 with an equimolar ratio of Y/Zr showed high selectivity to 3B1OL, an intermediate to BD. In the dehydration at 360°C, a BD yield higher than 90% was achieved over the Y2Zr2O7 calcined at 700°C throughout 10 h. In the dehydration of 3B1OL over Y2Zr2O7, however, the catalytic activity affected by the calcination temperature is roughly proportional to the specific surface area of the sample. The highest activity of Y2Zr2O7 calcined at 700 °C for the BD formation from 1,4-BDO is explained by the trade-off relation in the activities for the first-step dehydration of 1,4-BDO to 3B1OL and for the second-step dehydration of 3B1OL to BD. The higher reactivity of 3B1OL than saturated alcohols such as 1-butanol and 2-butanol suggests that the C=C double bond of 3B1OL induces an attractive interaction to anchor the catalyst surface and promotes the dehydration. A probable mechanism for the one-step dehydration of 1,4-BDO to BD was discussed.

PROCESS FOR PRODUCING DIENES

-

Page/Page column 30-34, (2021/06/26)

A process for producing a diene, preferably a conjugated diene, more preferably 1,3-butadiene, comprising dehydrating at least one alkenol in the presence of at least one catalytic material comprising at least one acid catalyst based on silica (SiO2) and alumina (AI2O3), preferably a silica-alumina (SiO2-Al2O3), said catalyst having an alumina content (Al2O3) lower than or equal to 12% by weight, preferably between 0.1% by weight and 10% by weight, with respect to the catalyst total weight, said alumina content being referred to the catalyst total weight without binder, and a pore modal diameter between 9 nm and 170 nm, preferably between 10 nm and 150 nm, still more preferably between 12 nm and 120 nm. Preferably, said alkenol can be obtained directly from biosynthetic processes, or by catalytic dehydration processes of at least one diol, preferably a butanediol, more preferably 1,3-butanediol, still more preferably bio-1,3-butanediol, deriving from biosynthetic processes. Preferably, said 1,3-butadiene is bio-1,3-butadiene.

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