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CAS 10004-17-8 (2-methyl-1,3-dioxolan-2-yl)methanol molecular structure lightbox
CAS RN: 10004-17-8

(2-methyl-1,3-dioxolan-2-yl)methanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260202 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000181
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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: 1g
  • Available purity: ≥95%
  • 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 10004-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

10004-17-8 / (2-methyl-1,3-dioxolan-2-yl)methanol

(2-Methyl-1,3-dioxolan-2-yl)methanol | 10004-17-8 | DTXSID50495684

Standard CAS: 10004-17-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10004-17-8
Multi CAS
No
Molecular Formula
C5H10O3
Molecular Weight
118.130000
Exact Mass
118.062994
SMILES
CC1(OCCO1)CO
InChI
InChI=1S/C5H10O3/c1-5(4-6)7-2-3-8-5/h6H,2-4H2,1H3
InChIKey
AHQLLEIQWZZXGP-UHFFFAOYSA-N
Synonyms
(2-Methyl-1,3-dioxolan-2-yl)methanol 10004-17-8 DTXSID50495684 RefChem:206142 DTXCID50446494

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
27.39
TPSA
38.69

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.24
XLogP3
-0.6
Consensus LogP
-0.37
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very 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)
-3.62

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] 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
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

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