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CAS 111-45-5 Ethylene Glycol Monoallyl Ether molecular structure lightbox
CAS RN: 111-45-5

Ethylene Glycol Monoallyl Ether

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260111 100g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250609 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250314 500g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-011890
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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: 500g
  • 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 111-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

111-45-5 / 2-prop-2-enoxyethanol

2-Allyloxyethanol | Ethylene glycol monoallyl ether | Ethanol, 2-(2-propenyloxy)-

Standard CAS: 111-45-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111-45-5
Multi CAS
No
Molecular Formula
C5H10O2
Molecular Weight
102.130000
Exact Mass
102.068080
SMILES
C=CCOCCO
InChI
InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2
InChIKey
GCYHRYNSUGLLMA-UHFFFAOYSA-N
Synonyms
2-Allyloxyethanol Ethylene glycol monoallyl ether Ethanol, 2-(2-propenyloxy)- Allyl cellosolve ETHANOL, 2-(ALLYLOXY)-

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.1
TPSA
29.46

LogP / Solubility

WLOGP
0.18
MLOGP
0.15
XLogP3
-0.1
Consensus LogP
0.08
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
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)
-3.21

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)
Corrosive Irritant
Signal
Danger Warning
GHS Hazard Statements
H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (49.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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