Acetone-2-13C
IUPAC: (213C)propan-2-one
Plain text
Chemfused. (2026). Acetone-2-13C, CAS 3881-06-9. Retrieved 2026-04-28 from https://chemfused.com/cas/3881-06-9
BibTeX
@misc{chemfused-cas-3881069,
title = {Acetone-2-13C, CAS 3881-06-9},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/3881-06-9},
urldate = {2026-04-28}
}
Acetone-2-13C (CAS 3881-06-9) is a chemical compound with molecular formula C3H6O and molecular weight 59.07 g/mol . GHS signal word: Danger. Hazard classifications: Flammable, Health Hazard.
What is Acetone-2-13C?
- Molecular Formula
- C3H6O
- Molecular Weight
- 59.07 g/mol
Structure Identifiers
- SMILES
- C[13C](=O)C
- InChI
- InChI=1S/C3H6O/c1-3(2)4/h1-2H3/i3+1
- InChIKey
- CSCPPACGZOOCGX-LBPDFUHNSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 59.0452 Da
- XLogP
- -0.10
- TPSA
- 17.1 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 1
- Complexity
- 26
- Formal Charge
- 0
Safety information
Signal Word
GHS Pictograms
GHS02
GHS07
Hazard Statements
- H225 Highly flammable liquid and vapour
Precautionary Statements
- P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
- P233 Keep container tightly closed
- P240 Ground/bond container and receiving equipment
- P241 Use explosion-proof electrical/ventilating/lighting equipment
- P242 Use only non-sparking tools
- P243 Take precautionary measures against static discharge
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P271 Use only outdoors or in a well-ventilated area
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P303+P361+P353 IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
- P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
- P370+P378 In case of fire: Use appropriate media for extinction
- P403+P233 Store in a well-ventilated place. Keep container tightly closed
- P403+P235 Store in a well-ventilated place. Keep cool
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (10)
- 3881-06-9
- 686-148-2
- Acetone-2-13C
- RefChem:552395
- DTXCID901764686
- DTXSID301335025
- SCHEMBL10051943
- (213C)propan-2-one
- (2-~13~C)Propan-2-one
- Acetone-2-13C, 99 atom % 13C
Frequently asked questions
What is the CAS number of Acetone-2-13C?
The CAS Registry Number for Acetone-2-13C is 3881-06-9.
What is the IUPAC name of Acetone-2-13C?
The IUPAC name of Acetone-2-13C is (213C)propan-2-one.
What is the molecular formula of Acetone-2-13C?
Acetone-2-13C has the molecular formula C3H6O and a molecular weight of 59.07 g/mol.
What is the SMILES notation for Acetone-2-13C?
The SMILES notation for Acetone-2-13C is C[13C](=O)C.
Is Acetone-2-13C hazardous?
Acetone-2-13C carries the following GHS hazard classifications: Flammable, Health Hazard. Signal word: Danger.
What are other names for Acetone-2-13C?
Acetone-2-13C is also known as (2-~13~C)Propan-2-one, (213C)propan-2-one, 3881-06-9, 686-148-2, Acetone-2-13C.
Data sourced from PubChem CID 11007810. Last updated .
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