Basic information
- CAS
15764-16-6- Standard SMILES
Cc1ccc(C=O)c(C)c1- InChIKey
GISVICWQYMUPJF-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Overview
2,4-Dimethylbenzaldehyde is a carbonyl compound.
Names & identifiers
- Preferred name
- 2,4-Dimethylbenzaldehyde
- IUPAC
- 2,4-dimethylbenzaldehyde
- English name
- 2,4-Dimethylbenzaldehyde
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
2,4-Dimethylbenzaldehyde15764-16-6Benzaldehyde, 2,4-dimethyl-2,4-dimethyl benzaldehyde2,4-Xylylaldehyde1-Formyl-2,4-dimethylbenzene2,4-DimethylbenzenecarboxaldehydeFEMA No. 3427I06YU18H4AEINECS 239-856-7DTXSID601662972,4-DIMETHYLBENZALDEHYDE [FHFI]
Show more names
2,4-dimethyl-benzaldehydDiMethylbenzaldehydeFEMA 3427m-Xylyl-4-aldehyde2,4-Dimethylbenzalde2,3-Dimethybenzaldehyde
2,4XylylaldehydeRefChem:4437711Formyl2,4dimethylbenzeneBenzaldehyde, 2,4dimethyl2,4DimethylbenzenecarboxaldehydeDTXCID7088788239-856-7MFCD00003340
Database identifiers
- CAS
15764-16-6- PubChem CID
- 61814
- DTXSID
DTXSID60166297- ChEBI
CHEBI:178624- UNII
- I06YU18H4A
- EC Number
- 239-856-7
- Nikkaji
- J43.037D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzaldehydes
SpringerMaterials PropertiesBoiling point
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.992-1.017
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
102.50 to 103.00 °C. @ 14.00 mm Hg
215 °C
Melting Point-9 °C
Refractive Index1.548-1.552
Physical Description
Colorless or light yellow liquid; [MSDSonline]
Liquid
colourless liquid with a mild, sweet, bitter-almond odour
Physicochemical properties
- Melting point
- -9 °C · -9 °C (lit.)
- Boiling point
- 102 · 102-103 °C/14 mmHg (lit.)
- Density
- 0.962 g/mL · 0.962 g/mL at 25 °C (lit.)
- vapor pressure
- 1 hPa · 1 hPa (20 °C)
- FEMA
- 3427 · 3427 | 2,4-DIMETHYLBENZALDEHYDE
- refractive index
- 20 · n20/D 1.549(lit.)
- FLAVIS Number
- 5.11 · 05.110 | 2,4-Dimethylbenzaldehyde
- Flash point
- 192 °F · 192 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Insoluble in water, soluble in alcohol and oils.
- form
- Liquid
- color
- Clear colorless
- Specific Gravity
- 0.962 · 0.962
- Odor
- 100 % · at 100.00 %. naphthyl cherry almond spice vanilla
- Odor Type
- naphthyl
- biological source
- synthetic
- Sensitive
- Air Sensitive
- JECFA Number
- 869 · 869
- InChI
- 1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3
- InChIKey
- GISVICWQYMUPJF-UHFFFAOYSA-N
- SMILES
- Cc1ccc(C=O)c(C)c1
- LogP
- 2.56 · 2.56
- CAS DataBase Reference
- 15764 · 15764-16-6(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2,4-DIMETHYLBENZALDEHYDE
- FDA UNII
- 6 YU18H4A · I06YU18H4A
- NIST Chemistry Reference
- 2 · Benzaldehyde, 2,4-dimethyl-(15764-16-6)
- UNSPSC Code
- 12352114 · 12352114
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-52/53-41-37/38
- Safety Statements
- 24 · 24/25-39-26
- WGK Germany
- 3 · 3
- HS Code
- 29122900 · 29122900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.2% (89 of 1440) of reports.
Warning
H302 (89.4%): 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 1440 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 2,4-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzaldehyde, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [MSDSonline] See ALDEHYDES.
Hazard Classes and CategoriesAcute Tox. 4 (89.4%)
Safety data
- wgk
- 3
- hs_code
- 29122900
- risk_code
- 36/37/38-52/53-41-37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-39-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P501
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
Description2,4-dimethylbenzaldehyde is one isomer of dimethylbenzaldehyde. It can be used as a flavoring agent and pharmacological intermediate. It can be manufactured through the reaction between m-xylene and CO under the catalysis of powdery and anhydrous AlCl3.
OccurrenceReported found in cognac, brandy, black tea, grape, juniper berry and clam
Uses2,4-Dimethylbenzaldehyde can be used for antiproliferative activity.
General DescriptionThe D values of 2,4-Dimethylbenzaldehyde were studied.
Preparation methods
PreparationBy passing HCl into a mixture of o-xylole, aluminum chloride, sodium cyanide at 100°C.
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安徽合诺生物科技有限公司0555-2761852
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
上海相辉医药科技有限公司13761987713 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海毕楷科技有限公司18516304666
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]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
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]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
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]
越林试剂021-62960152 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
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]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Additional notes
DefinitionChEBI: 2,4-Dimethylbenzaldehyde is a carbonyl compound.
Related reactions
55 records
Compound notes
Loading…