Basic information
- Standard SMILES
COc1cc(O)c(C=O)c(OC)c1- InChIKey
FQRQWPNYJOFDLO-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 4,6-Dimethoxysalicylaldehyde
- IUPAC
- 2-hydroxy-4,6-dimethoxybenzaldehyde
- English name
- 4,6-DIMETHOXYSALICYLALDEHYDE
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
4,6-Dimethoxysalicylaldehyde2-Hydroxy-4,6-dimethoxybenzaldehydeBenzaldehyde, 2-hydroxy-4,6-dimethoxy-4,6-Dimethoxy-2-hydroxybenzaldehydeEINECS 211-904-18AQ22EXM7G2-formyl-3,5-dimethoxyphenolDTXSID3022110SALICYLALDEHYDE, 4,6-DIMETHOXY-RefChem:96663DTXCID702110211-904-1
Show more names
EOS-61929LABOTEST-BB LT002332124,6-Dimethoxysalicylaldehyde>4,6-Dimethoxysalicylaldehyde,98%4,6-Dimethoxy-2-hydroxybenzaldehyde 98%
FQRQWPNYJOFDLO-UHFFFAOYSA-N708-76-92,4-Dimethoxy-6-hydroxybenzaldehydeMFCD000033282-hydroxy-4,6-bis(methyloxy)benzaldehydeUNII-8AQ22EXM7GSCHEMBL829755orb3023588
Database identifiers
- CAS
708-76-9- PubChem CID
- 69725
- DTXSID
DTXSID3022110- ChEMBL
CHEMBL3660367- UNII
- 8AQ22EXM7G
- EC Number
- 211-904-1
- Nikkaji
- J193.077J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 68 · 68-70 °C (lit.)
- Boiling point
- 131 °C/0.05mmHg · 131°C/0.05mmHg(lit.)
- Density
- 1.2481 · 1.2481 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 7.42 · 7.42±0.15(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Light orange
- BRN
- 1241679 · 1241679
- InChI
- InChI=1S/C9H10O4/c1-12-6-3-8(11)7(5-10)9(4-6)13-2/h3-5,11H,1-2H3
- InChIKey
- FQRQWPNYJOFDLO-UHFFFAOYSA-N
- SMILES
- C(=O)C1=C(OC)C=C(OC)C=C1O
- CAS DataBase Reference
- 708 · 708-76-9(CAS DataBase Reference)
- FDA UNII
- 8 AQ22EXM7G · 8AQ22EXM7G
- 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
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-36/37
- WGK Germany
- 3 · 3
- F
- 9 · 9-23
- Hazard Note
- Harmful/Store Cold
- HS Code
- 2912490090 · 2912490090
- Storage Class
- 11 · 11 - Combustible Solids
- 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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 9-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2912490090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful/Store Cold
- safety_code
- 26-36-36/37
- Storage Class
- 11 - Combustible Solids
- 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
Applications
Uses4,6-Dimethoxysalicylaldehyde was used in the preparation of a new class of efficient ketocoumarin triplet sensitizers. It was used as staring reagent in the total synthesis of (+/-)-linderol A, a hexahydrodibenzofuran.
General Description4,6-Dimethoxysalicylaldehyde on condensation with methylamine yields Schiff bases.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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]
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普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
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常熟市海天医药原料有限公司13913622609
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
同创医药(苏州)有限公司0512-63263366 18912765016 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南京友杰医药科技有限公司18860950986 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
苏州月朗星稀化学有限公司0512-62857507 · [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]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [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]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
12 records
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