Basic information
- CAS
34123-66-5- Standard SMILES
COc1ccc(C=O)cc1OC(C)C- InChIKey
XLUAYJHDQOQHPB-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.09429431
Names & identifiers
- Preferred name
- 3-Isopropoxy-4-methoxybenzaldehyde
- IUPAC
- 4-methoxy-3-propan-2-yloxybenzaldehyde
- English name
- 3-Isopropoxy-4-methoxy-benzaldehyde
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
3-Isopropoxy-4-methoxybenzaldehyde34123-66-5DTXSID60343768RefChem:280146DTXCID402948453-Isopropoxy-4-methoxy-benzaldehyde4-methoxy-3-propan-2-yloxybenzaldehyde4-methoxy-3-(propan-2-yloxy)benzaldehydeMFCD00831061Isovanillin isopropyl etherSCHEMBL660365SCHEMBL31009671
Show more names
AKOS B014199TIMTEC-BB SBB009339CHEMBRDG-BB 3014199ART-CHEM-BB B014199ASINEX-REAG BAS 12524545Benzaldehyde, 3-isopropoxy-4-methoxy-4-methoxy-3-propan-2-yloxy-benzaldehydeBenzaldehyde, 4-methoxy-3-(1-methylethoxy)-
3-isopropoxy4-methoxy-benzaldehyde3-isopropoxy-4 -methoxybenzaldehydeALBB-001314BBL016310STK3999163-Isopropoxy-4-methoxybenzaldehyde #4-methoxy-3-prop-2-yloxybenzaldehydeAKOS000183921
Database identifiers
- CAS
34123-66-5- PubChem CID
- 592092
- DTXSID
DTXSID60343768- EC Number
- 976-822-7
- Nikkaji
- J1.191.721F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 297.9 · 297.9±20.0 °C(Predicted)
- Density
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C11H14O3/c1-8(2)14-11-6-9(7-12)4-5-10(11)13-3/h4-8H,1-3H3
- InChIKey
- XLUAYJHDQOQHPB-UHFFFAOYSA-N
- SMILES
- COc1ccc(C=O)cc1OC(C)C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H319
- Precautionary statements
- 261 · P261-P264-P270-P272-P280-P301+P312+P330-P302+P352-P305+P351+P338-P333+P313-P337+P313-P363-P501
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Sens. 1
- Precautionary statements
- P261-P264-P270-P272-P280-P301+P312+P330-P302+P352-P305+P351+P338-P333+P313-P337+P313-P363-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers12 total
Aladdin Scientific[email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
深圳法默科技有限公司0755-86648230 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
22 records
Compound notes
Loading…