Allene

Base Information

• Chemical Name: Allene
• CAS No.: 12075-35-3
• Deprecated CAS: 6688-91-1
• Molecular Formula: C3H4
• Molecular Weight: 36.033
• European Community (EC) Number: 207-335-3
• UN Number: 2200
• UNII: 4AV0LZ8QKB
• DSSTox Substance ID: DTXSID1029178,DTXSID801027035
• Nikkaji Number: J3.636F
• Wikipedia: Tricarbon,Propadiene
• Wikidata: Q422942,Q3407495,Q83054370
• ChEMBL ID: CHEMBL116960
• Mol file: 12075-35-3.mol

Synonyms:allene;propadiene

Chemical Property of Allene

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 0.546g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 40.0313001276
• Heavy Atom Count: 3
• Complexity: 15.5
• Transport DOT Label: Flammable Gas

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Simple Asphyxiants
• Canonical SMILES: C=C=C

Technology Process of Allene

There total 3 articles about Allene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

graphite → carbon cluster (12070-15-4,159562-56-8) + tricarbon (12075-35-3) + pyrographite (7440-44-0)

Guidance literature:

In neat (no solvent); laser ablation; not isolated;

DOI:10.1021/ja055430+

Reference yield:

pyrographite (7440-44-0) → carbon cluster (21894-87-1,26181-88-4,54682-86-9,13967-78-7,174973-66-1) + carbon (121565-74-0,8031-35-4,9078-70-0) + tricarbon (12075-35-3) + carbon + CCCCCC

Guidance literature:

In gaseous matrix; Irradiation (UV/VIS); sample ablation by Nd:YAG laser at 532 nm for 5-10 min, condensation in solid Ar on Au plate substrate at ca. 10 K;

DOI:10.1063/1.479062

Reference yield:

graphite → carbon (121565-74-0,8031-35-4,9078-70-0) + carbon (107603-01-0,159562-58-0) + carbon (129066-02-0) + tricarbon (12075-35-3) + CCCCCC

Guidance literature:

In gas; other Radiation; clusters are produced by the vaporization of graphite using Nd:YAG laser, trapped in solid Ar at 12 K; monitored by IR and UV/visible, further products;

DOI:10.1021/j100160a030

upstream raw materials:

pyrographite

Refernces

• 1、 Nicolas, Christophe,Shu, Jinian,Peterka, Darcy S.,Hochlaf, Majdi,Poisson, Lionel,Leone, Stephen R.,Ahmed, Musahid. "Vacuum ultraviolet photoionization of C3". . p. 220 - 226. Retrieved 2007/10/03.