Basic information
- CAS
28785-06-0- Standard SMILES
CCCc1ccc(C=O)cc1- InChIKey
MAUCRURSQMOFGV-UHFFFAOYSA-N- Molecular formula
- C10H12O
- Average molar mass
- 148.2 g/mol
- Monoisotopic mass
- 148.088815
Names & identifiers
- Preferred name
- 4-Propylbenzaldehyde
- IUPAC
- 4-propylbenzaldehyde
- English name
- 4-n-Propylbenzaldehyde
- Molecular formula
- C10H12O
- Molecular weight
- 148.2
Names & synonyms
4-Propylbenzaldehyde28785-06-0Benzaldehyde, 4-propyl-p-Propylbenzaldehyde4-PropylbenzaldehydBenzaldehyde, p-propyl-BRN 2206736EINECS 249-221-6AFA5SA2NA54-(N-PROPYL)BENZALDEHYDE(4-PROPYLPHENYL)METHANONEDTXSID6067412
Show more names
p-propyl-benzaldehyd4-Propylbenzaldehyde,98%1-Formyl-4-propylbenzene2-(propylamino)propanenitrile
2-07-00-00246 (Beilstein Handbook Reference)RefChem:526580DTXCID9037870249-221-64-n-PropylbenzaldehydeMFCD000418704-PropYl-Benzaldehyde4-Propyl-benzaldehyd
Database identifiers
- CAS
28785-06-0- PubChem CID
- 120047
- DTXSID
DTXSID6067412- UNII
- AFA5SA2NA5
- EC Number
- 249-221-6
- Nikkaji
- J54.847B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 19 °C · 19 °C
- Boiling point
- 240 ℃ · 240℃
- Density
- 1.005 g/mL · 1.0050 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.532(lit.)
- Flash point
- 219 °F · 219 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Acetone (Slightly), DMSO (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Odor
- Faint aromatic odor
- InChI
- 1S/C10H12O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-8H,2-3H2,1H3
- InChIKey
- MAUCRURSQMOFGV-UHFFFAOYSA-N
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Regulation (EC) No 1935/2004 (amended)
Benzaldehyde, 4-propyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzaldehyde, 4-propyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CU7800000
- hs_code
- 2912290090
- Toxicity
- rat,LD50,oral,1600mg/kg (1600mg/kg),Journal of Pharmaceutical Sciences. Vol. 63, Pg. 1068, 1974.
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 8,500,000 - <25,000,000 lb
Consumer UsesIntermediate
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzaldehyde, 4-propyl-: ACTIVE
Applications
Uses4-n-Propylbenzaldehyde (cas# 28785-06-0) is a useful reagent for Lewis acid promoted, synthesis of fluoroquinolone clubbed 1,3,4-thiadiazole motifs.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers82 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Related reactions
20 records
Compound notes
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