Basic information
- CAS
4748-78-1- Standard SMILES
CCc1ccc(C=O)cc1- InChIKey
QNGNSVIICDLXHT-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Names & identifiers
- Preferred name
- 4-Ethylbenzaldehyde
- IUPAC
- 4-ethylbenzaldehyde
- English name
- 4-Ethylbenzaldehyde
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
4-ETHYLBENZALDEHYDE4748-78-1p-EthylbenzaldehydeBenzaldehyde, 4-ethyl-4-ethyl benzaldehydeEthylbenzaldehyde, p-FEMA No. 3756289PPW3SG4Benzaldehyde, P-ethyl-DTXSID0047080BENZALDEHYDE,4-ETHYLEINECS 225-268-8
Show more names
FEMA 3756Ethyl-benzaldehydeethylbenzaldhydeAKOS BBS-000031474-ethyl-benzaldehydLABOTEST-BB LT00429577
DTXCID80270804-ETHYLBENZALDEHYDE [FHFI]RefChem:522845225-268-8InChI=1/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H4-EthYl-BenzaldehydeEbalEthyl benzaldehyde
Database identifiers
- CAS
4748-78-1、53951-50-1- PubChem CID
- 20861
- DTXSID
DTXSID0047080- ChEMBL
CHEMBL1887227- ChEBI
CHEBI:167400- UNII
- 289PPW3SG4
- EC Number
- 225-268-8
- Nikkaji
- J38.078D
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 101
Experimental & physicochemical properties
Density0.980-1.000
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
220.00 to 222.00 °C. @ 760.00 mm Hg
220 °C
Refractive Index1.538-1.542
Physical Descriptioncolourless to pale yellow liquid with a sweet, bitter-almond odour
Kovats Retention Index
1164；1180；1181；1163；1206；1175；1169；1194；1169；1206；1155；1171；1181；1171；1164；1164.2；197
1719；1721；1730；1714；1712；1730；1745；1714；1730；1714；1753；1728；1735；1752；1753；1711；1719；1731；1735；1747
1154；1174；1152；1147
Physicochemical properties
- Boiling point
- 221 °C · 221 °C (lit.)
- Density
- 0.979 g/mL · 0.979 g/mL at 25 °C (lit.)
- vapor pressure
- 16.67 Pa · 16.67Pa at 25℃
- FLAVIS Number
- 5.068 · 05.068 | 4-Ethylbenzaldehyde
- refractive index
- 20 · n20/D 1.539(lit.)
- FEMA
- 3756 · 3756 | 4-ETHYLBENZALDEHYDE
- Flash point
- 198 °F · 198 °F
- storage temp.
- 4 °C, · 4°C, stored under nitroge
- form
- Liquid
- color
- Clear colorless to light yellow
- Odor
- 10 % · at 10.00 % in dipropylene glycol. bitter almond sweet anise
- Odor Type
- fruity
- biological source
- synthetic
- Water Solubility
- Not miscible or difficult to mix in water. Soluble in alcohol.
- Sensitive
- Air Sensitive
- JECFA Number
- 865 · 865
- BRN
- 636027 · 636027
- Major Application
- flavors and fragrances
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3
- InChIKey
- QNGNSVIICDLXHT-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(CC)cc1
- LogP
- 2.75 at · 2.75 at 25℃
- Substances Added to Food (formerly EAFUS)
- 4 · 4-ETHYLBENZALDEHYDE
- CAS DataBase Reference
- 4748 · 4748-78-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 289 PPW3SG4 · 289PPW3SG4
- NIST Chemistry Reference
- 4 · Benzaldehyde, 4-ethyl-(4748-78-1)
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-ethyl- (4748-78-1)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319
- Precautionary statements
- 280 g-P305+P351+P338-P210-P280-P370+P378-P403+P235-P501 · P280g-P305+P351+P338-P210-P280-P370+P378-P403+P235-P501
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-27-28-36/37/39-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29122990 · 29122990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (13.9%): 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)
Aggregated GHS information provided per 281 reports by companies from 4 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
Regulatory Information
Chemical: Benzaldehyde, 4-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 23-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27052
Benzaldehyde, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (85.1%)；Skin Irrit. 2 (15.3%)；Eye Irrit. 2A (15.3%)；STOT SE 3 (13.9%)
Regulatory information
Regulatory Information
Chemical: Benzaldehyde, 4-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 23-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27052
Benzaldehyde, 4-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29122990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-27-28-36/37/39-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H315-H319
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280g-P305+P351+P338-P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
IFRA Fragrance Standards
p-Ethylbenzaldehyde
4-Ethylbenzaldehyde; Benzaldehyde, 4-ethyl
IFRA_STD_034.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzaldehyde, 4-ethyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.085 [Products applied to the lips]
0.025 [Products applied to the axillae]
0.51 [Products applied to the face/body using fingertips]
0.47 [Products related to fine fragrances]
0.12 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.12 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Applications
OccurrenceReported found in roasted turkey, grilled and roasted beef, roasted chicken, cider, black tea, roasted peanuts and cooked trassi
UsesIt is used as a perfuming agent in cosmetics industry. It is also used as a pharmaceutical intermediate.
Uses4-Ethylbenzaldehyde has been used in the synthesis of 4,4′-diaminotriphenylmethanes under microwave irradiation, which is useful for parallel library syntheses.
General Description4-Ethylbenzaldehyde is a by-product of disinfection. Kinetic constants (KI) of 4-ethylbenzaldehyde for inhibition of the diphenolase activity of mushroom tyrosinase has been investigated.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
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上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
黄石精驰医药有限公司17771967576; 17771967576 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
Beckmann-Kenko GmbH+49 4241 9308 88 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
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赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
武汉弘德悦欣医药科技有限公司027-83855396 15271852016
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
Additional notes
DefinitionChEBI: 4-Ethylbenzaldehyde is a carbonyl compound.
Related reactions
81 records
Compound notes
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