Basic information
- CAS
34246-54-3- Standard SMILES
CCc1cccc(C=O)c1- InChIKey
LLYXUFQXCNIGDG-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Names & identifiers
- Preferred name
- m-Ethylbenzaldehyde
- IUPAC
- 3-ethylbenzaldehyde
- English name
- 3-Ethylbenzaldehyde
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
3-Ethylbenzaldehyde34246-54-3m-EthylbenzaldehydeDTXSID90187819EINECS 251-896-7RefChem:800365DTXCID00110310251-896-7Benzaldehyde, 3-ethyl-MFCD092634823-Ethyl-benzaldehydeSCHEMBL291613
Show more names
2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propanoic acid (diphenylmethyl) ester
CL8323AKOS006331230CS-W006593DS-17925EN300-96750Z1198218859m-EthBCP06175
Database identifiers
- CAS
34246-54-3- PubChem CID
- 118623
- DTXSID
DTXSID90187819- ChEBI
CHEBI:229392- EC Number
- 251-896-7
- Nikkaji
- J287.884D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 109
Experimental & physicochemical properties
Kovats Retention Index1168
Physicochemical properties
- Boiling point
- 73 °C · 73 °C(Press: 5.5 Torr)
- Density
- 1.001 · 1.001±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Moisture Sensitive
- LogP
- 2.701 · 2.701 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2912290090 · 2912290090
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
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2912290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Description3-Ethylbenzaldehyde is a natural compound that is found in the essential oils of plants such as Capsicum annuum and Cinnamomum zeylanicum.
Uses3-Ethylbenzaldehyde has been used as a bioassay for the presence of fatty acids in laminar magnetic resonance spectroscopy (MRS) studies on cordata.
Upstream & downstream products
Upstream raw materials
Suppliers85 total
上海康恩博医药科技有限公司17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
12 records
Compound notes
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