Sebacoin
Basic information
- CAS
96-00-4- Standard SMILES
O=C1CCCCCCCCC1O- InChIKey
DFGQDTZCEYGOTO-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Sebacoin
- IUPAC
- 2-hydroxycyclodecan-1-one
- English name
- 2-Hydroxycyclodecanone
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
Sebacoin2-Hydroxycyclodecanone2-hydroxycyclodecan-1-one96-00-4Sebacoin [MI]Cyclodecanone, 2-hydroxy-NSC-90294UNII-2MDO7P01XJ2MDO7P01XJDTXSID30293504RefChem:182112SEBACOIN, (+-)-
Show more names
DTXCID002446441-Cyclodecanol-2-oneSebacoin, (+/-)-NSC902942-hydroxy-cyclodecan-1-one2-HYDROXY-CYCLODECANONESCHEMBL11354182AKOS022505108
Database identifiers
- CAS
96-00-4- PubChem CID
- 259753
- DTXSID
DTXSID30293504- UNII
- 2MDO7P01XJ
- EC Number
- 620-713-6
- Nikkaji
- J4.716C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 42 ° · 42°
- Boiling point
- 6 · bp6 113-114°; bp0.1 77°
- Density
- 0.9581 · 0.9581 (rough estimate)
- refractive index
- 1.451 · 1.4510 (estimate)
- pka
- 13.26 · 13.26±0.20(Predicted)
- FDA UNII
- 2 MDO7P01XJ · 2MDO7P01XJ
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
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
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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