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CAS 121-39-1 Ethyl 3-Phenylglycidate (cis- and trans- mixture) molecular structure lightbox
CAS RN: 121-39-1

Ethyl 3-Phenylglycidate (cis- and trans- mixture)

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 100g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250324 25g In stock Shanghai Inquiry
Batchno.20260426 500g In stock Tianjin, Wuhan Inquiry
Batchno.20250313 5g In stock Shanghai Inquiry
  • Product code: SSC-022339
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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: 100g
  • 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 121-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

121-39-1 / ethyl 3-phenyloxirane-2-carboxylate

Ethyl 3-phenylglycidate | Ethyl 3-phenyloxirane-2-carboxylate | Ethyl phenylglycidate

Standard CAS: 121-39-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
121-39-1
Multi CAS
Yes
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
SMILES
CCOC(=O)C1C(O1)C2=CC=CC=C2
InChI
InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChIKey
GOMAKLPNAAZVCJ-UHFFFAOYSA-N
Synonyms
Ethyl 3-phenylglycidate Ethyl 3-phenyloxirane-2-carboxylate Ethyl phenylglycidate Oxiranecarboxylic acid, 3-phenyl-, ethyl ester ETHYL 2,3-EPOXY-3-PHENYLPROPIONATE

Physical Properties

Melting Point
less than 32 °F (NTP, 1992)
Boiling Point
509 to 518 °F at 760 mmHg (NTP, 1992)
Density
1.122 (NTP, 1992) - Denser than water; will sink 1.120-1.128 @ 25/25 °C 1.120-1.125
Physical Description
Ethyl-3-phenylglycidate appears as clear pale yellow or yellow liquid. (NTP, 1992) Colorless to pale yellow liquid with a strong fruity odor like strawberries; [HSDB] Clear, Colourless to pale yellow liquid; Strong fruity aroma suggestive of strawberry
Appearance
COLORLESS TO PALE-YELLOW LIQUID
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
50.69
TPSA
38.83

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.69

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
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (99.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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