10,12-Nonacosadiynoic Acid
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Basic information
- CAS
66990-34-9- Standard SMILES
CCCCCCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O- InChIKey
LQESNAREESPTNY-UHFFFAOYSA-N- Molecular formula
- C29H50O2
- Average molar mass
- 430.7 g/mol
- Monoisotopic mass
- 430.38108083
Names & identifiers
- Preferred name
- 10,12-Nonacosadiynoic Acid
- IUPAC
- nonacosa-10,12-diynoic acid
- English name
- 10,12-NONACOSADIYNOIC ACID
- Molecular formula
- C29H50O2
- Molecular weight
- 430.71
Names & synonyms
10,12-Nonacosadiynoic Acid66990-34-9DTXSID20399286RefChem:235602DTXCID10350144678-282-5Nonacosa-10,12-diynoic Acid10,12-NONACOSADIYNOICACIDMFCD00060119SCHEMBL416620LQESNAREESPTNY-UHFFFAOYSA-NAKOS015839861
Show more names
Nonacosadiynoicacid10,12-Nocosadiynoic Acid10,12-NonacosadiynoicAci10,12-NonacosadiynoicAcid>
CS-0373907N0514D91722F76003010,12-Nonacosadiynoic Acid, inverted exclamation markO97%
Database identifiers
- CAS
66990-34-9- PubChem CID
- 4097613
- DTXSID
DTXSID20399286- EC Number
- 678-282-5
- Nikkaji
- J208.804E
Properties
Computed structural propertiesFilling in
- XLogP
- 11.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 23
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 522
Physicochemical properties
- Melting point
- 72 °C · 72 °C
- Boiling point
- 568 · 568.0±33.0 °C(Predicted)
- Density
- 0.919 · 0.919±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- pka
- 4.78 · 4.78±0.10(Predicted)
- form
- powder to crystal
- color
- White to Gray to Dark blue
- CAS DataBase Reference
- 66990 · 66990-34-9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- HS Code
- 2916.19 · 2916.19.3000
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916.19.3000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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