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CAS 104-57-4 Benzyl Formate molecular structure lightbox
CAS RN: 104-57-4

Benzyl Formate

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251220 100g In stock Inquiry
Batchno.20260521 25g In stock Inquiry
Batchno.20250605 500g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250314 25g / 100g Confirm by inquiry Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250102 100g In stock Shanghai, Hebei Inquiry
Batchno.20250319 2.5kg In stock Shanghai Inquiry
Batchno.20251215 25g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250612 500g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: SSC-005736
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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 104-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Shenzhen Inquiry

104-57-4 / benzyl formate

Benzyl formate | Benzyl methanoate | Formic acid, phenylmethyl ester

Standard CAS: 104-57-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
104-57-4
Multi CAS
No
Molecular Formula
C8H8O2
Molecular Weight
136.150000
Exact Mass
136.052429
SMILES
C1=CC=C(C=C1)COC=O
InChI
InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey
UYWQUFXKFGHYNT-UHFFFAOYSA-N
Synonyms
Benzyl formate Benzyl methanoate Formic acid, phenylmethyl ester Phenylmethyl formate Benzyl alcohol, formate

Physical Properties

Boiling Point
202.00 to 203.00 °C. @ 760.00 mm Hg
Density
1.082-1.092
Physical Description
colourless liquid with an intense pleasant, floral-fruity odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
37.3
TPSA
26.3

LogP / Solubility

WLOGP
1.36
MLOGP
1.19
XLogP3
1.6
Consensus LogP
1.38
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.59

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
H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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