Basic information
- CAS
34127-96-3- Standard SMILES
CCCCOc1cc(C=O)ccc1OC- InChIKey
CSSRHTDXZIBTMI-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 3-Butoxy-4-methoxybenzaldehyde
- IUPAC
- 3-butoxy-4-methoxybenzaldehyde
- English name
- 3-Butoxy-4-methoxybenzaldehyde
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
3-Butoxy-4-methoxybenzaldehyde34127-96-3Benzaldehyde, 3-butoxy-4-methoxy-DTXSID40343822RefChem:277915DTXCID30294899CSSRHTDXZIBTMI-UHFFFAOYSA-NBenzaldehyde,3-butoxy-4-methoxy-MFCD008310623-Butoxy-4-methoxy-benzaldehyde3-n-Butoxy-4-methoxybenzaldehydeSCHEMBL1748837
Show more names
3-butyloxy-4-methoxybenzaldehyde
JBA12796AKOS000202070DB-128288CS-0221453EN300-09170G38157F346604SR-01000050590
Database identifiers
- CAS
34127-96-3- PubChem CID
- 592471
- DTXSID
DTXSID40343822- EC Number
- 999-729-3
- Nikkaji
- J3.232.342A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [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]
山东碳氢生物化工有限公司15508610597 15508610597 · [email protected]
Related reactions
11 records
Compound notes
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