Basic information
- CAS
14352-58-0- Standard SMILES
CC1(CC(=O)O)CCCCC1- InChIKey
LTBPRPATSZONGJ-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
Names & identifiers
- Preferred name
- 2-(1-Methylcyclohexyl)acetic acid
- IUPAC
- 2-(1-methylcyclohexyl)acetic acid
- English name
- (1-Methyl-cyclohexyl)-acetic acid
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
2-(1-methylcyclohexyl)acetic acid14352-58-0RefChem:451136877-911-2(1-methylcyclohexyl)acetic acidMFCD14529334SCHEMBL1783711-methyl-cyclohexaneacetic acidSCHEMBL279329122-(1-methylcyclohexyl)aceticacidLTBPRPATSZONGJ-UHFFFAOYSA-NALBB-032216
Show more names
(methylcyclohexyl)acetic acidCyclohexaneacetic acid, 1-methyl-(1-Methyl-cyclohexyl)-acetic acid
PAA35258AKOS016344615LS-11884SY147390DB-354657CS-0223885EN300-116918H46201
Database identifiers
- CAS
14352-58-0- PubChem CID
- 13697885
- EC Number
- 877-911-2
- Nikkaji
- J1.639.164F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 94 · 94-95 °C(Press: 0.5 Torr)
- Density
- 0.994 · 0.994±0.06 g/cm3(Predicted)
- pka
- 4.72 · 4.72±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2-(1-Methylcyclohexyl)acetic Acid can be used as a IRE1 modulators to treat IRE1-related diseases.
Suppliers7 total
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
3 records
Compound notes
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