Basic information
- CAS
2206-94-2- Standard SMILES
C=C(OC(C)=O)c1ccccc1- InChIKey
HWCUCNKPBMGSSC-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 1-Phenylethenyl acetate
- IUPAC
- 1-phenylethenyl acetate
- English name
- alpha-methylenebenzyl acetate
- Molecular formula
- C10H10O2
- Molecular weight
- 162.19
Names & synonyms
1-Phenylethenyl acetate1-Phenylvinyl acetate2206-94-2alpha-Acetoxystyrene.alpha.-AcetoxystyreneNSC-191941CC5K86844Ethenol, 1-phenyl-, acetate.ALPHA.-ACETYLOXYSTYRENEBenzenemethanol, .alpha.-methylene-, acetateDTXSID0051865UNII-1CC5K86844
Show more names
Indolcoreindocolore (Firmenich)α-methylenebenzyl acetatealpha-methylenebenzyl acetateAcetic acid 1-phenylvinyl esterα-Methylenebenzenemethanol acetateAcetic acid α-methylenebenzyl ester
1-ACETOXY-1-PHENYLETHENEEINECS 218-620-7NSC 19194Benzenemethanol, alpha-methylene-, acetateBenzyl alcohol, alpha-methylene-, acetateBenzenemethanol, alpha-methylene-, 1-acetateBenzyl alcohol, .alpha.-methylene-, acetateEC 218-620-7
Database identifiers
- CAS
2206-94-2- PubChem CID
- 75153
- DTXSID
DTXSID0051865- UNII
- 1CC5K86844
- EC Number
- 218-620-7
- Nikkaji
- J299.159D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (Benzenemethanol, alpha-methylene-, acetate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 87.5 · 87.5-89.5 °C(Press: 3.5 Torr)
- Density
- 1.074 g/cm3 · 1.074 g/cm3
- vapor pressure
- 13.79 Pa · 13.79Pa at 25℃
- Odor
- 1 % · at 1.00 % in dipropylene glycol. animal floral fecal phenolic
- Odor Type
- animal
- Water Solubility
- 1.249 g/L · 1.249g/L at 20℃
- LogP
- 2.01 at · 2.01 at 25℃
- FDA UNII
- 1 CC5K86844 · 1CC5K86844
- EPA Substance Registry System
- Benzenemethanol, .alpha.-methylene-, acetate (2206-94-2)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (25 of 50) of reports.
H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, .alpha.-methylene-, acetate
REACH registered substance: α-methylenebenzyl acetate (EC: 218-620-7)
Hazard Classes and CategoriesAquatic Chronic 3 (50%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- REACH Registrations
- Inactive
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain 1-Phenylethenyl acetate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzenemethanol, .alpha.-methylene-, 1-acetate: ACTIVE
Suppliers12 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
佛山晟熠生物科技有限公司18064670521 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北科沃德化工有限公司027-83295551 13317178958 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
武汉市聚舜化工有限公司13349917800 13349917800 · [email protected]
Related reactions
1 records
Compound notes
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