Basic information
- CAS
2538-98-9- Standard SMILES
COc1cc(C=O)ccc1OC(C)C- InChIKey
BSVXIKDDVDCMIO-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 4-Isopropoxy-3-methoxybenzaldehyde
- IUPAC
- 3-methoxy-4-propan-2-yloxybenzaldehyde
- English name
- 4-ISOPROPOXY-3-METHOXY-BENZALDEHYDE
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
4-isopropoxy-3-methoxybenzaldehyde2538-98-93-methoxy-4-(propan-2-yloxy)benzaldehydeDTXSID10351737RefChem:524314DTXCID90302803672-083-74-Isopropoxy-3-methoxy-benzaldehyde3-methoxy-4-propan-2-yloxybenzaldehydeMFCD008375884-iso-propoxy-3-methoxy-benzaldehyde3-Methoxy-4-[(propan-2-yl)oxy]benzaldehyde
Show more names
AKOS BBS-00006657CHEMBRDG-BB 4302398TIMTEC-BB SBB000331OTAVA-BB BB7020401732ASINEX-REAG BAS 12491898Benzaldehyde, 3-methoxy-4-(1-methylethoxy)-
3-methoxy-4-(methylethoxy)benzaldehydeVanillin isopropyl etherVanillin, isopropyl etherASISCHEM R24889AKOS BC-3060SCHEMBL1159006SCHEMBL3662959AKOS B000257
Database identifiers
- CAS
2538-98-9- PubChem CID
- 708253
- DTXSID
DTXSID10351737- EC Number
- 672-083-7
- Nikkaji
- J1.130.108H
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
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
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, P317, 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
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers18 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
威海怀信生物科技有限公司15662379806 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Related reactions
9 records
Compound notes
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