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Basic information
- CAS
4041-09-2- Standard SMILES
CC1CCC(C)C1=O- InChIKey
MKLARKDYEBNZFK-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- 2,5-Dimethylcyclopentan-1-one
- IUPAC
- 2,5-dimethylcyclopentan-1-one
- English name
- 2,5-dimethylcyclopentan-1-one
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
2,5-Dimethylcyclopentan-1-one2,5-Dimethylcyclopentanone4041-09-2DTXSID1021582EINECS 223-731-9NSC 89710RefChem:444576DTXCID301582223-731-9Cyclopentanone, 2,5-dimethyl-2,5-dimethyl-cyclopentanone2,5-DIMETHYLCYCLOPENTANONE (2,5-D2)
Show more names
MKLARKDYEBNZFK-UHFFFAOYSA-N
NSC89710Cyclopentanone,5-dimethyl-2,5 -dimethylcyclopentanone2,5-dimethylcyclo-pentanoneNCIOpen2_0013771.3-Dimethylcyclopentanon-2SCHEMBL2344673SCHEMBL4435103
Database identifiers
- CAS
4041-09-2- PubChem CID
- 96826
- DTXSID
DTXSID1021582- EC Number
- 223-731-9
- Nikkaji
- J110.423C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 95
Experimental & physicochemical properties
Kovats Retention Index855
Physicochemical properties
- Boiling point
- 146.5 °C · 146.5°C (estimate)
- Density
- 0.882 · 0.8820
- refractive index
- 1.431 · 1.4310
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (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 CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers10 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 031166536426 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海松帆医药科技有限公司17321241880 · [email protected]
JIAXING REGEN CHEMICAL CO.,LTD+8613385739570 · [email protected]
Related reactions
5 records
Compound notes
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