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CAS 120-11-6 1-Benzyloxy-2-methoxy-4-propenylbenzene molecular structure lightbox
CAS RN: 120-11-6

1-Benzyloxy-2-methoxy-4-propenylbenzene

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251001 10g In stock Inquiry
Batchno.20260621 25g In stock Inquiry
Batchno.20251023 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260614 10g / 25g / 100g / 500g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-020772
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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: ≥98%
  • 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 120-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Shanghai Inquiry

120-11-6 / 2-methoxy-1-phenylmethoxy-4-prop-1-enylbenzene

Benzyl isoeugenol | RefChem:1079476 | Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-

Standard CAS: 120-11-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
120-11-6
Multi CAS
Yes
Molecular Formula
C17H18O2
Molecular Weight
254.320000
Exact Mass
254.130680
SMILES
CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3
InChIKey
YKSSSKBJDZDZTD-UHFFFAOYSA-N
Synonyms
Benzyl isoeugenol RefChem:1079476 Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)- 1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene MFCD00026985

Physical Properties

Physical Description
White to ivory-coloured crystalline powder; faint, floral aroma of rose-carnation
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
78.48
TPSA
18.46

LogP / Solubility

WLOGP
4.31
MLOGP
3.8
XLogP3
4.1
Consensus LogP
4.07
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1583 of 1623 companies (only 2.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website. H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H351: Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501

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