Basic information
- CAS
3350-30-9- Standard SMILES
O=C1CCCCCCCC1- InChIKey
BAUZLFKYYIVGPM-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- Cyclononanone
- IUPAC
- cyclononanone
- English name
- Cyclononanone
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
Cyclononanone3350-30-976CA7XQ2LGEINECS 222-108-9NSC 90289NSC-90289UNII-76CA7XQ2LGDTXSID20187145RefChem:129796DTXCID30109636222-108-9BAUZLFKYYIVGPM-UHFFFAOYSA-N
Show more names
CYCLONONANONE CRYSTALLINE
MFCD00001756CHEMBL276087NSC90289Cyclononanone 95%Cyclononanone,95%cyclononanone biradicalCyclononanone, 95%SCHEMBL992890
Database identifiers
- CAS
3350-30-9- PubChem CID
- 76877
- DTXSID
DTXSID20187145- ChEMBL
CHEMBL276087- UNII
- 76CA7XQ2LG
- EC Number
- 222-108-9
- Nikkaji
- J113.870G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 24 · 24-26 °C(lit.)
- Boiling point
- 95 · 95-97 °C18 mm Hg(lit.)
- Density
- 0.959 g/mL · 0.959 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.477(lit.)
- Flash point
- 150 °F · 150 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- liquid
- BRN
- 1280879 · 1280879
- InChI
- 1S/C9H16O/c10-9-7-5-3-1-2-4-6-8-9/h1-8H2
- InChIKey
- BAUZLFKYYIVGPM-UHFFFAOYSA-N
- SMILES
- O=C1CCCCCCCC1
- FDA UNII
- 76 CA7XQ2LG · 76CA7XQ2LG
- UNSPSC Code
- 12352100 · 12352100
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H332
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P261-P280-P301+P312-P304+P340
Chemistry & industry
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海马氏化学科技有限公司19916721580 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
Related reactions
1 records
Compound notes
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