Basic information
- CAS
4117-15-1- Standard SMILES
C#CCCCCCCCC#C- InChIKey
PZWZXAPXSJTOOI-UHFFFAOYSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- 1,10-Undecadiyne
- IUPAC
- undeca-1,10-diyne
- English name
- 1,10-Undecadiyne
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
1,10-Undecadiyne4117-15-1DTXSID5063312RefChem:71174DTXCID3039876undeca-1,10-diyneundec-1,10-diyneAndrost-5-ene-3,16-diolSCHEMBL1760701AR-1H7319EN300-19372959
Database identifiers
- CAS
4117-15-1- PubChem CID
- 77764
- DTXSID
DTXSID5063312- EC Number
- 890-470-0
- Nikkaji
- J421.711J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- -17 °C · -17°C
- Boiling point
- 218.87 °C · 218.87°C (estimate)
- Density
- 0.8182 · 0.8182
- refractive index
- 1.453 · 1.4530
- EPA Substance Registry System
- 1 · 1,10-Undecadiyne (4117-15-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H227-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H227-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,10-Undecadiyne: INACTIVE
Related reactions
1 records
Compound notes
Loading…