Basic information
- CAS
5736-85-6- Standard SMILES
CCCOc1ccc(C=O)cc1- InChIKey
FGXZWMCBNMMYPL-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 4-Propoxybenzaldehyde
- IUPAC
- 4-propoxybenzaldehyde
- English name
- 4-N-PROPOXYBENZALDEHYDE
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
4-Propoxybenzaldehyde5736-85-64-n-Propoxybenzaldehydep-PropoxybenzaldehydeBenzaldehyde, 4-propoxy-Benzaldehyde, p-propoxy-p-(n-Propoxy)benzaldehyde4-Propyloxybenzaldehydep-n-PropoxybenzaldehydeNSC 325091,4-PropoxybenzaldehydeNSC 406729
Show more names
4-propoxy-benzaldehydWLN: VHR DO3ASISCHEM V31873AKOS BBS-00003252Propoxybenzaldehyde
BRN 07434080OW6V9S3I7AI3-05518NSC-32509NSC-406729UNII-0OW6V9S3I7DTXSID00639914-08-00-00255 (Beilstein Handbook Reference)
Database identifiers
- CAS
5736-85-6、870839-25-1- PubChem CID
- 79812
- DTXSID
DTXSID0063991- UNII
- 0OW6V9S3I7
- EC Number
- 611-515-0
- Nikkaji
- J30.714I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 268 °C · 268 °C
- Boiling point
- 129 · 129-130 °C/10 mmHg (lit.)
- Density
- 1.039 g/mL · 1.039 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.546(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.06 · 1.06
- Sensitive
- Air Sensitive
- BRN
- 743408 · 743408
- InChI
- InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3
- InChIKey
- FGXZWMCBNMMYPL-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(OCCC)C=C1
- CAS DataBase Reference
- 5736 · 5736-85-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 OW6V9S3I7 · 0OW6V9S3I7
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-propoxy- (5736-85-6)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-27-36/37/39
- WGK Germany
- 3 · 3
- RTECS
- 7700000 · CU7700000
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29124990 · 29124990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 46 reports by companies from 6 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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CU7700000
- hs_code
- 29124990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-27-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 4-propoxy-: INACTIVE
Applications
Uses4-Propoxybenzaldehyde was used in the preparation of (2S,4S,5R)-(±)-2-(4-propoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine via condensation with 1-ephedrine.
General DescriptionKinetic constants for the inhibition of the diphenolase activity of mushroom tyrosinase by 4-propoxybenzaldehyde was evaluated.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
32 records
Compound notes
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