1,9-Decadiyne
Basic information
- CAS
1720-38-3- Standard SMILES
C#CCCCCCCC#C- InChIKey
ILVDYAGPHFWNQI-UHFFFAOYSA-N- Molecular formula
- C10H14
- Average molar mass
- 134.22 g/mol
- Monoisotopic mass
- 134.10955045
Overview
Deca-1,9-diyne is an alkadiyne and a terminal acetylenic compound.
Names & identifiers
- Preferred name
- 1,9-Decadiyne
- IUPAC
- deca-1,9-diyne
- English name
- 1,9-Decadiyne
- Molecular formula
- C10H14
- Molecular weight
- 134.22
Names & synonyms
1,9-Decadiynedeca-1,9-diyneH6VZJ7LN6LEINECS 217-012-9DTXSID4061913CHEBI:37823RefChem:73787DTXCID3035503ILVDYAGPHFWNQI-UHFFFAOYSA-N1720-38-3MFCD00014926UNII-H6VZJ7LN6L
Show more names
1,9-DECADIYNE, 97%1,9-DECADIYNE, 97%1,9-DECADIYNE, 97%1,9-DECADIYNE, 97%Decadiyneeca-1,9-diyne1,9-Decanediyne1,9-Decadiyne >1,9-Decadiyne,98%1,9-Decadiyne, 97+%TIMTEC-BB SBB008879
BAA72038AKOS006223687CS-0215756D1326D89835EN300-298553Q27117282?1,9-DECADIYNE
Database identifiers
- CAS
1720-38-3- PubChem CID
- 74400
- DTXSID
DTXSID4061913- ChEBI
CHEBI:37823- UNII
- H6VZJ7LN6L
- EC Number
- 217-012-9
- Nikkaji
- J150.548C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- -6.35 °C · -6.35°C (estimate)
- Boiling point
- 72 °C/13 · 72 °C/13 mmHg
- Density
- 0.82 · 0.82
- refractive index
- 1.45 · 1.45
- Flash point
- 60 °C · 60°C
- storage temp.
- Flammables area
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 0.816 · 0.816
- Water Solubility
- Insoluble in water.
- BRN
- 1734594 · 1734594
- CAS DataBase Reference
- 1720 · 1720-38-3(CAS DataBase Reference)
- FDA UNII
- 6 VZJ7LN6L · H6VZJ7LN6L
- EPA Substance Registry System
- 1 · 1,9-Decadiyne (1720-38-3)
- Symbol(GHS)
- 8 · GHS08,GHS02
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (71.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (71.4%)
Safety data
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2901299090
- risk_code
- 10
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS02
- safety_code
- 16
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H227-H304
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P210-P280-P301+P310+P331-P370+P378-P403+P235-P405-P501-P240-P241-P280a-P303+P361+P353-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,9-Decadiyne: ACTIVE
Applications
UsesOne-step synthesis of carbametacyclophane 3 from 1,9-decadiyne and diethyl acetylenedicarboxylate is described. The use of 1,9-decadiyne as a nucleophile led only to the monoalkynylation product, a selectivity that would be difficult to achieve with a catalytic in situ metalation process. 1,9-decadiyne reacts with iodobenzene (excess) to afford the bis-Sonogashira coupling product in excellent yield. 1,9-Decadiyne was dihydrated and gave 2,9-decanedione in 92% yield.
Additional notes
DefinitionChEBI: Deca-1,9-diyne is an alkadiyne and a terminal acetylenic compound.
Related reactions
2 records
Compound notes
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