Basic information
- CAS
1592-12-7- Standard SMILES
C=Cc1ccc(COC(C)=O)cc1- InChIKey
LEIKPUSDAWATBV-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- 4-Vinylbenzyl acetate
- IUPAC
- (4-ethenylphenyl)methyl acetate
- English name
- 4-Vinylbenzyl acetate
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
4-VINYLBENZYL ACETATE1592-12-7DTXSID20370611RefChem:527095DTXCID40321645695-183-2(4-ethenylphenyl)methyl acetateMFCD00078265(4-vinylphenyl)methyl acetatep-acetoxymethylstyrene4-ethenylbenzenemethanol acetateSCHEMBL1051823
Show more names
Vinylbenzyl acetate4-Vinylbenzyl alcohol acetate4-VINYLBENZYL ACETATE STABILIZED 95%4-Vinylbenzyl acetate, 95%, stabilizedBenzenemethanol, 4-ethenyl-, 1-acetate4-Vinylbenzyl acetate, stabilized, 95%4-Vinylbenzyl acetate, stabilized, 95% 5GR
AKOS016008947AS-48046SY240133ST50405736F17591F814547
Database identifiers
- CAS
1592-12-7- PubChem CID
- 2735161
- DTXSID
DTXSID20370611- EC Number
- 695-183-2
- Nikkaji
- J725.925E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 125 °C/12mmHg · 125°C/12mmHg
- Density
- 1.051 g/cm3 · 1.051 g/cm3(Temp: 25 °C)
- refractive index
- 1.535 · 1.535-1.538
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- Crystals or Crystalline Powder
- color
- White
- InChI
- InChI=1S/C11H12O2/c1-3-10-4-6-11(7-5-10)8-13-9(2)12/h3-7H,1,8H2,2H3
- InChIKey
- LEIKPUSDAWATBV-UHFFFAOYSA-N
- SMILES
- C1(COC(=O)C)C=CC(C=C)=CC=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HS Code
- 29163900 · 29163900
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29163900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Vinylbenzyl Acetate is a useful research chemical compound used in the prepaaration of N-trifluoromethylthio-dibenzenesulfonimide.
Upstream & downstream products
Upstream raw materials
Suppliers38 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都翔才医药科技有限公司13683497877
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
3 records
Compound notes
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