1,1-Diethoxyoct-2-yne
Basic information
- CAS
16387-55-6- Standard SMILES
CCCCCC#CC(OCC)OCC- InChIKey
YKXAYRBNHIHDSI-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 1,1-Diethoxyoct-2-yne
- IUPAC
- 1,1-diethoxyoct-2-yne
- English name
- 2-Octynal diethyl acetal 98
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
1,1-Diethoxyoct-2-yne16387-55-61,1-Diethoxy-2-octyneEINECS 240-438-1DTXSID30167670RefChem:409826DTXCID1090161240-438-12-Octyne, 1,1-diethoxy-2-OCTYNAL DIETHYL ACETAL 981,1-diethoxy-oct-2-yne8YAQ9Z24RB
Show more names
2-Octynal diethyl acetal 98
1,1-Diethoxy-2-octyne #SCHEMBL7642174AKOS015913083DB-249991NS00025352ST51038226
Database identifiers
- CAS
16387-55-6- PubChem CID
- 85389
- DTXSID
DTXSID30167670- UNII
- 8YAQ9Z24RB
- EC Number
- 240-438-1
- Nikkaji
- J286.883K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 120 · 120-123 °C18 mm Hg(lit.)
- Density
- 0.881 g/mL · 0.881 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.436(lit.)
- Flash point
- 209 °F · 209 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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