Basic information
- CAS
35354-29-1- Standard SMILES
CC(=O)Oc1cc(OC(C)=O)cc(C(=O)O)c1- InChIKey
QBTDQJMLMVEUTQ-UHFFFAOYSA-N- Molecular formula
- C11H10O6
- Average molar mass
- 238.19 g/mol
- Monoisotopic mass
- 238.04773803
Names & identifiers
- Preferred name
- 3,5-Diacetoxybenzoic Acid
- IUPAC
- 3,5-diacetyloxybenzoic acid
- English name
- 3,5-Diacetoxybenzoic acid
- Molecular formula
- C11H10O6
- Molecular weight
- 238.19
Names & synonyms
3,5-Diacetoxybenzoic acid35354-29-1DTXSID50337196RefChem:486592DTXCID40288284630-012-73,5-diacetyloxybenzoic acidBenzoic acid, 3,5-bis(acetyloxy)-3,5-Bis(acetyloxy)benzoic acid3,5-Diacetoxy-benzoic acidMFCD000175913,5-Diacethoxybenzoic acid
Show more names
3,5-Diacethoxybenzoicacid3,5-DiacetoxybenzoicAcid>3,5-diacetyloxybenzoic acid
3,5-Diacetoxy Benzoic AcidMaybridge1_0043303.5-diacetoxybenzoic Acid3,5-diacetyloxybezoic acida-Resorcylic acid, diacetateOprea1_191803SCHEMBL417129HMS553M20
Database identifiers
- CAS
35354-29-1- PubChem CID
- 539869
- DTXSID
DTXSID50337196- EC Number
- 630-012-7
- Nikkaji
- J648.403D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 158 · 158-160°C
- Boiling point
- 408.4 · 408.4±35.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 3.68 · 3.68±0.10(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 2741728 · 2741728
- CAS DataBase Reference
- 35354 · 35354-29-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 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
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)
Safety data
- hs_code
- 29189900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-60-37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers76 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [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]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Ark Pharm, Inc.
Related reactions
22 records
Compound notes
Loading…