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Acetone-2-13C is a stable isotope-labeled chemical compound, where the carbon atom at the second position is replaced with a carbon-13 isotope. This variant of acetone is primarily used in scientific research and analytical chemistry for tracing and studying metabolic pathways, as well as for calibration purposes in mass spectrometry. The presence of the heavier carbon-13 isotope allows for the differentiation between the labeled and unlabeled molecules, providing valuable insights into chemical reactions and processes.

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  • 3881-06-9 Structure
  • Basic information

    1. Product Name: ACETONE-2-13C
    2. Synonyms: ACETONE-2-13C;ACETONE-2-13C, 99 ATOM % 13C
    3. CAS NO:3881-06-9
    4. Molecular Formula: C3H6O
    5. Molecular Weight: 59.09
    6. EINECS: N/A
    7. Product Categories: A;Alphabetical Listings;Stable Isotopes
    8. Mol File: 3881-06-9.mol
  • Chemical Properties

    1. Melting Point: -94 °C(lit.)
    2. Boiling Point: 56 °C(lit.)
    3. Flash Point: 1 °F
    4. Appearance: /
    5. Density: 0.804 g/mL at 25 °C
    6. Vapor Density: 2 (vs air)
    7. Vapor Pressure: 184 mm Hg ( 20 °C)
    8. Refractive Index: n20/D 1.359(lit.)
    9. Storage Temp.: N/A
    10. Solubility: N/A
    11. CAS DataBase Reference: ACETONE-2-13C(CAS DataBase Reference)
    12. NIST Chemistry Reference: ACETONE-2-13C(3881-06-9)
    13. EPA Substance Registry System: ACETONE-2-13C(3881-06-9)
  • Safety Data

    1. Hazard Codes: F,Xi
    2. Statements: 41-67-66-36-11
    3. Safety Statements: 16-26-3/7-36-9
    4. RIDADR: UN 1090 3/PG 2
    5. WGK Germany: 3
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 3881-06-9(Hazardous Substances Data)

3881-06-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 3881-06-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,8,8 and 1 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 3881-06:
(6*3)+(5*8)+(4*8)+(3*1)+(2*0)+(1*6)=99
99 % 10 = 9
So 3881-06-9 is a valid CAS Registry Number.

3881-06-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name ACETONE-2-13C

1.2 Other means of identification

Product number -
Other names 1,4,7,10,13,16,19-heptaoxa-cycloheneicosane

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:3881-06-9 SDS

3881-06-9Relevant articles and documents

Cascade reactions for the continuous and selective production of isobutene from bioderived acetic acid over zinc-zirconia catalysts

Crisci, Anthony J.,Dou, Herui,Prasomsri, Teerawit,Romn-Leshkov, Yuriy

, p. 4196 - 4200 (2015/02/19)

Bio-oil (obtained from biomass fast pyrolysis) contains a high concentration of acetic acid, which causes problems related to its storage and handling. Acetic acid was upgraded directly to isobutene over a ZnxZryOz binary metal oxide. The reaction proceeds via a three-step cascade involving ketonization, aldol condensation, and C-C hydrolytic bond cleavage reactions, which was corroborated by isotopic labeling studies. Separately, ZnO and ZrO2 are incapable of producing isobutene from either acetic acid or acetone. In contrast, under optimal conditions, a Zn2Zr8Oz catalyst generates a ca. 50% isobutene yield, which corresponds to 75% of the theoretical maximum. Spectroscopic investigations revealed that a balanced concentration of acid and base sites is required to maximize isobutene yields.

The Formation of Acetone Complexes from the Reaction of CO with 2(μ-O) (Y=Me, Cl) and their Decomposition Reactions

Flores, Juan Carlos,Mena, Miguel,Royo, Pascual,Serrano, Ricardo

, p. 617 - 618 (2007/10/02)

The reaction of 2(μ-O) (Y=Me, Cl) and CO gives η2-acetone complexes, which liberate Me2CO upon treatment with oxygen and Me2CHOH upon hydrolysis, and their thermal decomposition proceeds with deoxygenation of the acetone ligand an

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