2-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid
Basic information
- CAS
40248-63-3- Standard SMILES
CC1CCC(C(C)C)C(OCC(=O)O)C1- InChIKey
CILPHQCEVYJUDN-UHFFFAOYSA-N- Molecular formula
- C12H22O3
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.15689456
Names & identifiers
- Preferred name
- 2-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid
- IUPAC
- 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid
- English name
- [[(2S)-2-Isopropyl-5-methylcyclohexyl]oxy]acetic acid
- Molecular formula
- C12H22O3
- Molecular weight
- 214.3
Names & synonyms
71420-37-6((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acidRefChem:10605452-((5-Methyl-2-(1-methylethyl)cyclohexyl)oxy)acetic acid275-438-0(-)-Menthoxyacetic acid(-)-Menthyloxyacetic acid40248-63-3L-Menthoxyacetic acid2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid[(2-Isopropyl-5-methylcyclohexyl)oxy]acetic acid(+)-Menthoxyacetic Acid
Show more names
[(1RANZ-C[1(S)-BENZYL-2(R)3-p-Menthoxyacetic acid2-Epoxy-3-(Boc-amino)-4-phe nylbutane[(1S)-1-(2R)-oxiranyl-2-phenylethyl]-3S)-5-ethynyl-4-Methylcyclohex-4-ene-13-diyl)bis(oxy)bis(tert-butyldiMethylsilane)3s)-3-(n-boc-amino)-1-oxirane-4-phenylbutane3-EPOXYPROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
Levo-menthoxyacetic acid2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetic acidL-p-Menth-3-yloxyacetic acid2-((2-Isopropyl-5-methylcyclohexyl)oxy)acetic acidmenthoxyacetic acidEINECS 254-857-2EINECS 275-438-0EN300-25882
Database identifiers
- CAS
40248-63-3、71420-37-6- PubChem CID
- 97814
- DTXSID
DTXSID50871388- EC Number
- 254-857-2、275-438-0
- Nikkaji
- J22.862A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 35 °C · 35 °C
- Boiling point
- 171 °C · 171 °C(Press: 11 Torr)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 3.47 · 3.47±0.10(Predicted)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Acute Tox. 4 (100%)
Suppliers
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Related reactions
9 records
Compound notes
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