Basic information
- CAS
10031-82-0- Standard SMILES
CCOc1ccc(C=O)cc1- InChIKey
JRHHJNMASOIRDS-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Overview
4-ethoxybenzaldehyde is an aromatic ether.
Names & identifiers
- Preferred name
- 4-Ethoxybenzaldehyde
- IUPAC
- 4-ethoxybenzaldehyde
- English name
- 4-Ethoxybenzaldehyde
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
4-ETHOXYBENZALDEHYDE10031-82-0p-EthoxybenzaldehydeBenzaldehyde, 4-ethoxy-Ethoxybenzaldehyde, p-FEMA No. 2413UNII-GOW1H0F49AEINECS 233-093-3GOW1H0F49ANSC 406709BRN 0386863p-Ethoxy benzaldehyde
Show more names
FEMA 2413HomoanisaldehydeAKOS BBS-00003167Ethoxybenzaldehydep-ethoxy-benzaldehyd4-ethoxy-benzaldehydP-ETHYOXYBENZALDEHYDEOTAVA-BB BB7020401735
AI3-05684P-ETHOXYBENZALDEHYDE [FHFI]NSC-406709DTXSID70222514-08-00-00254 (Beilstein Handbook Reference)RefChem:98835DTXCID5022514-ETHOXYBENZALDEHYDE [INCI]
Database identifiers
- CAS
10031-82-0- PubChem CID
- 24834
- DTXSID
DTXSID7022251- ChEBI
CHEBI:167817- UNII
- GOW1H0F49A
- EC Number
- 233-093-3
- Nikkaji
- J38.403H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP
2.230
2.09
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.078-1.084
Flavoring AgentsEU Flavoring substances
Solubility
slightly
poorly soluble in water, glycols, glycerol; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point
249.00 to 250.00 °C. @ 760.00 mm Hg
250 °C (minimum)
Melting Point13 - 14 °C
Refractive Index1.556-1.564
Physical Description
Liquid
colourless liquid with a sweet, floral, anise odour
Physicochemical properties
- Melting point
- 13 · 13-14 °C(lit.)
- Boiling point
- 255 °C · 255 °C(lit.)
- Density
- 1.08 g/mL · 1.08 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.559(lit.)
- FEMA
- 2413 · 2413 | P-ETHOXYBENZALDEHYDE
- FLAVIS Number
- 5.056 · 05.056 | 4-Ethoxybenzaldehyde
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- Liquid
- Specific Gravity
- 1.08 · 1.08
- color
- Clear yellow to light brown
- Odor
- 100 % · at 100.00 %. sweet spicy floral anisic
- Odor Type
- spicy
- Water Solubility
- Insoluble in water.
- Sensitive
- Air Sensitive
- JECFA Number
- 879 · 879
- BRN
- 386863 · 386863
- Cosmetics Ingredients Functions
- PERFUMINGFRAGRANCE
- InChI
- 1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3
- InChIKey
- JRHHJNMASOIRDS-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(OCC)cc1
- LogP
- 2.23 · 2.23
- CAS DataBase Reference
- 10031 · 10031-82-0(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- P-ETHOXYBENZALDEHYDE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 H0F49A · GOW1H0F49A
- NIST Chemistry Reference
- 4 · Benzaldehyde, 4-ethoxy-(10031-82-0)
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-ethoxy- (10031-82-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-24/25-36
- WGK Germany
- 3 · 3
- RTECS
- 6100000 · CU6100000
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29124990 · 29124990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1589 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 4-ethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
4-Ethoxybenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CU6100000
- hs_code
- 29124990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-24/25-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzaldehyde, 4-ethoxy-: ACTIVE
Applications
Description4-Ethoxybenzaldehyde is a flavoring ingredient. 4-Ethoxybenzaldehyde can be used as an anti-inflammatory and prostaglandin E2 suppressor. It has also been indicated that it is useful in reducing facial erythema.
OccurrenceReported found in black tea
Uses4-Ethoxybenzaldehyde was used as an anti-inflammatory and prostaglandin E2 suppressor in skin lightening agents.
Preparation methods
PreparationBy ethylation of p-hydroxybenzaldehyde using aluminum chloride catalyst.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Additional notes
DefinitionChEBI: 4-ethoxybenzaldehyde is an aromatic ether.
Related reactions
62 records
Compound notes
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