Basic information
- CAS
122-95-2- Standard SMILES
CCOc1ccc(OCC)cc1- InChIKey
VWGNFIQXBYRDCH-UHFFFAOYSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.09937969
Names & identifiers
- Preferred name
- 1,4-Diethoxybenzene
- IUPAC
- 1,4-diethoxybenzene
- English name
- 1,4-Diethoxybenzene
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
1,4-DiethoxybenzeneBenzene, 1,4-diethoxy-p-DiethoxybenzeneHydroquinone diethyl etherBenzene, p-diethoxy-NSC-2113DIETHOXYBENZENE, P-C6Y51501JBNSC 2113EINECS 204-585-5NSC-688081,4-DIETHYLOXYBENZENE
Show more names
1,4-diethoxy-benzen1,4-Diethoxybenzoldiethyl hydroquinone1,4-Diethoxybenzene >1,4-Diethoxybenzene,98%hydroquinonedlethylether
UNII-C6Y51501JBAI3-09458DTXSID9059549RefChem:73247Benzene, p-diethoxy-(8CI)DTXCID2033736204-585-5InChI=1/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H
Database identifiers
- CAS
122-95-2- PubChem CID
- 67150
- DTXSID
DTXSID9059549- ChEMBL
CHEMBL219898- UNII
- C6Y51501JB
- EC Number
- 204-585-5
- Nikkaji
- J5.537I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 92.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 69 · 69-72 °C(lit.)
- Boiling point
- 246 °C · 246 °C
- Density
- 1.006 · 1.0060 (rough estimate)
- refractive index
- 1.5083 · 1.5083 (estimate)
- Flash point
- 245 · 245-248°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Orange to Green
- Odor
- The anisic-minty odour of considerable tenacity.
- Water Solubility
- Insoluble
- BRN
- 2044373 · 2044373
- LogP
- 3.162 · 3.162 (est)
- CAS DataBase Reference
- 122 · 122-95-2(CAS DataBase Reference)
- FDA UNII
- 6 Y51501JB · C6Y51501JB
- NIST Chemistry Reference
- 1 · Benzene, 1,4-diethoxy-(122-95-2)
- EPA Substance Registry System
- 1 · Benzene, 1,4-diethoxy- (122-95-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25-S24/25
- WGK Germany
- 1 · 1
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29093090 · 29093090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Benzene, 1,4-diethoxy-
Benzene, 1,4-diethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Peroxide Forming Chemical
p-Diethoxybenzene
D: Other compounds that may form peroxides
Kelly
Safety data
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29093090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25-S24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,4-diethoxy-: INACTIVE
Applications
Uses1,4-Diethoxybenzene is used in organic synthesis and it is used in the synthesis of pillar[6]arene in presence of BF3.OEt2.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers92 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
北京大田丰拓化学技术有限公司13651141086 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
Related reactions
5 records
Compound notes
Loading…