2-Octynoic acid, 2-propen-1-yl ester
Basic information
- CAS
73157-43-4- Standard SMILES
C=CCOC(=O)C#CCCCCC- InChIKey
YJHAHRNANWIZTN-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- 2-Octynoic acid, 2-propen-1-yl ester
- IUPAC
- prop-2-enyl oct-2-ynoate
- English name
- allyl oct-2-ynoate
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
2-Octynoic acid, 2-propen-1-yl esterAllyl oct-2-ynoate2-Octynoic acid, 2-propenyl esterEINECS 277-303-1DTXSID30868231RefChem:477323DTXCID90816359277-303-173157-43-4prop-2-enyl oct-2-ynoatePROP-2-EN-1-YL OCT-2-YNOATESCHEMBL3505865
Show more names
ALLYL2-OCTYNOATEAllylheptinecarbonate2-Octyneoic acid allyl ester2-Octynoic acid 2-propenyl ester
YJHAHRNANWIZTN-UHFFFAOYSA-NNS00011948
Database identifiers
- CAS
73157-43-4- PubChem CID
- 155771
- DTXSID
DTXSID30868231- EC Number
- 277-303-1
- Nikkaji
- J309.246A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 259.6 · 259.6±19.0 °C(Predicted)
- Density
- 0.938 · 0.938±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.953 · 3.953 (est)
- EPA Substance Registry System
- 2 · 2-Octynoic acid, 2-propenyl ester (73157-43-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H315-H317-H302
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P270, P272, P280, P301+P317, P302+P352, P316, P317, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Octynoic acid, 2-propenyl ester
Other Safety InformationIMAP assessments - 2-Octynoic acid, 2-propenyl ester: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H315-H317-H302
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Octynoic acid, 2-propen-1-yl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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