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CAS 10076-48-9 Methyl 2,2-Dimethoxypropionate molecular structure lightbox
CAS RN: 10076-48-9

Methyl 2,2-Dimethoxypropionate

  • Product code: SSC-001492
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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: 5g, 10g
  • 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 10076-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

10076-48-9 / methyl 2,2-dimethoxypropanoate

Methyl 2,2-dimethoxypropionate | EINECS 233-211-3 | DTXSID60143503

Standard CAS: 10076-48-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10076-48-9
Multi CAS
Yes
Molecular Formula
C6H12O4
Molecular Weight
148.160000
Exact Mass
148.073559
SMILES
CC(C(=O)OC)(OC)OC
InChI
InChI=1S/C6H12O4/c1-6(9-3,10-4)5(7)8-2/h1-4H3
InChIKey
KHQQDBIXHUJARJ-UHFFFAOYSA-N
Synonyms
Methyl 2,2-dimethoxypropionate EINECS 233-211-3 DTXSID60143503 NSC 159637 RefChem:812855

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
34.44
TPSA
44.76

LogP / Solubility

WLOGP
0.17
MLOGP
0.14
XLogP3
0.2
Consensus LogP
0.17
Log S (ESOL)
-0.67
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-3.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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

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