Basic information
- CAS
42866-92-2- Standard SMILES
COc1ccc(CC(OC)OC)cc1- InChIKey
UKVAXOJOOALGOT-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 1-(2,2-Dimethoxyethyl)-4-methoxybenzene
- IUPAC
- 1-(2,2-dimethoxyethyl)-4-methoxybenzene
- English name
- Benzene, 1-(2,2-dimethoxyethyl)-4-methoxy-
- Molecular formula
- C11H16O3
- Molecular weight
- 196.24
Names & synonyms
1-(2,2-Dimethoxyethyl)-4-methoxybenzene42866-92-2DTXSID60339222RefChem:222734DTXCID00290303Benzene, 1-(2,2-dimethoxyethyl)-4-methoxy-1-(2,2-dimethoxyethyl)-4-methoxy-benzene4-Methoxyphenylacetaldehyde dimethylacetalSCHEMBL1070963UKVAXOJOOALGOT-UHFFFAOYSA-NMFCD15144799AKOS022171472
Show more names
1-(2,2-Dimethoxyethyl)-4-methoxybenzene #4-Methoxyphenylacetaldehyde dimethylacetal, 95%F11563F335014
Database identifiers
- CAS
42866-92-2- PubChem CID
- 554649
- DTXSID
DTXSID60339222- EC Number
- 687-368-1
- Nikkaji
- J3.051.245F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Density
- 1.032 g/mL · 1.032 g/mL at 25 °C
- refractive index
- 20 · n20/D1.504
- Flash point
- 110 ℃ · >110℃
- form
- liquid
- color
- Colourless
- InChI
- 1S/C11H16O3/c1-12-10-6-4-9(5-7-10)8-11(13-2)14-3/h4-7,11H,8H2,1-3H3
- InChIKey
- UKVAXOJOOALGOT-UHFFFAOYSA-N
- SMILES
- COC(Cc1ccc(OC)cc1)OC
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xn
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 39 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
- wgk
- 3
- hs_code
- 2909309090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海常丰生物医药科技有限公司+86-021-61727342 13611721451 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
career henan chemical co
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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