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CAS 111969-64-3 (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2,2-Dihydroxyacetate molecular structure lightbox
CAS RN: 111969-64-3

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2,2-Dihydroxyacetate

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260416 10g In stock Tianjin, Wuhan Inquiry
Batchno.20260121 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250410 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250302 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251113 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-012435
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 111969-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

111969-64-3 / [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate

L-Menthyl Glyoxylate Hydrate | MFCD00792503 | L-MENTHYL 2,2-DIHYDROXYACETATE

Standard CAS: 111969-64-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111969-64-3
Multi CAS
Yes
Molecular Formula
C12H22O4
Molecular Weight
230.300000
Exact Mass
230.151809
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(O)O)C(C)C
InChI
InChI=1S/C12H22O4/c1-7(2)9-5-4-8(3)6-10(9)16-12(15)11(13)14/h7-11,13-14H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
InChIKey
BWZMJRSMHQDFIT-KXUCPTDWSA-N
Synonyms
L-Menthyl Glyoxylate Hydrate MFCD00792503 L-MENTHYL 2,2-DIHYDROXYACETATE (1S)-(+)-Menthyl glyoxylate hydrate (5-methyl-2-propan-2-ylcyclohexyl) 2,2-dihydroxyacetate

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.45
TPSA
66.76

LogP / Solubility

WLOGP
1.3
MLOGP
1.15
XLogP3
2.4
Consensus LogP
1.62
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H373 (98.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P264+P265, P273, P280, P305+P354+P338, P317, P319, P391, and P501

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