(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate
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(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate
structure -
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CAS No:
111969-64-3
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Formula:
C12H22O4
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Chemical Name:
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate
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Synonyms:
Acetic acid,2,2-dihydroxy-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester;Acetic acid,dihydroxy-,5-methyl-2-(1-methylethyl)cyclohexyl ester,[1R-(1α,2β,5α)]-;Acetic acid,dihydroxy-,(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester;(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate;2,2-Dihydroxyacetic acid,(-)-menthyl ester
- Categories:
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CAS No:
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate Basic Attributes
230.3
230.30
416-810-6
Safety Information
Ⅲ
9
3077
9
S61-S36/39-S26-S22
Xn;N
P260, P273, P280, P305+P351+P338, P310, P314, P391, P501
H318
|Danger|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P260, P273, P280, P305+P351+P338, P310, P314, P391, and P501|H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 77 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:230.30
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:230.15180918
Monoisotopic Mass:230.15180918
Topological Polar Surface Area:66.8
Heavy Atom Count:16
Complexity:237
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate
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