Basic information
- CAS
1011-48-9- Standard SMILES
CC(=O)C1COc2ccccc2O1- InChIKey
KVCWAZWJLMNADA-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Names & identifiers
- Preferred name
- 1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanone
- IUPAC
- 1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
- English name
- 1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-one
- Molecular formula
- C10H10O3
- Molecular weight
- 178.18
Names & synonyms
1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethanone1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethan-1-oneG7TKT32H5K2-acetyl-2,3-dihydro-1,4-benzodioxinEthanone, 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-DTXSID809059432-ACETYL-1,4-BENZODIOXANRefChem:73970DTXCID801335044213-783-01011-48-91-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
Show more names
2,3-Dihydro-1,4-benzodioxin-2-yl(methyl) ketone1-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanone(SALTDATA: FREE)
1-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)ethan-1-oneMFCD004576801-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)ethanone1-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-ethanone2-acetylbenzodioxaneEINECS 213-783-0UNII-G7TKT32H5K2-acetyl-1,4-benzodioxane
Database identifiers
- CAS
1011-48-9- PubChem CID
- 70531
- DTXSID
DTXSID80905943- UNII
- G7TKT32H5K
- EC Number
- 213-783-0
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 34 · 34-35 °C(Solv: water (7732-18-5); methanol (67-56-1))
- Boiling point
- 89 · 89-90 °C(Press: 0.3 Torr)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- solid
- Appearance
- Brown to black Liquid
- InChI
- 1S/C10H10O3/c1-7(11)10-6-12-8-4-2-3-5-9(8)13-10/h2-5,10H,6H2,1H3
- InChIKey
- KVCWAZWJLMNADA-UHFFFAOYSA-N
- SMILES
- CC(=O)C1COc2ccccc2O1
- FDA UNII
- 7 TKT32H5K · G7TKT32H5K
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers17 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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