Basic information
- CAS
19550-46-0- Standard SMILES
CC1CCC(C)(O)C1- InChIKey
LLIFEWZQIYEVKX-UHFFFAOYSA-N- Molecular formula
- C7.H14.O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 1,3-Dimethylcyclopentanol
- IUPAC
- 1,3-dimethylcyclopentan-1-ol
- English name
- 1,3-Dimethylcyclopentanol
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
1,3-Dimethylcyclopentanol19550-46-01,3-Dimethyl cyclopentanolRefChem:72733LLIFEWZQIYEVKX-UHFFFAOYSA-N1,3-dimethylcyclopentan-1-olCyclopentanol, 1,3-dimethyl-1.3-Dimethylcyclopentanol-1SCHEMBL2343536DTXSID80941326MFCD00045412AKOS006271496
Show more names
AS-82567E77662EN300-693621F849293
Database identifiers
- CAS
19550-46-0- PubChem CID
- 140551
- DTXSID
DTXSID80941326- Nikkaji
- J3.400.134K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 90.4
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
Physicochemical properties
- Boiling point
- 70 °C · 70 °C(Press: 20 Torr)
- Density
- 0.92 · 0.920±0.06 g/cm3(Predicted)
- pka
- 15.39 · 15.39±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety & protection
Protective Action Criteria (PAC)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
南京后秀医药科技有限公司15252458249 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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