Basic information
- CAS
18780-67-1- Standard SMILES
CCOC(=O)Oc1c(OC)cc(C(=O)O)cc1OC- InChIKey
KSIOSIYBQLJZIW-UHFFFAOYSA-N- Molecular formula
- C12H14O7
- Average molar mass
- 270.23 g/mol
- Monoisotopic mass
- 270.07395278
Names & identifiers
- Preferred name
- 4-Ethoxycarbonyloxy-3,5-dimethoxybenzoic acid
- IUPAC
- 4-ethoxycarbonyloxy-3,5-dimethoxybenzoic acid
- English name
- 4-Ethoxycarbonyloxy-3,5-dimethoxybenzoic acid
- Molecular formula
- C12H14O7
- Molecular weight
- 270.24
Names & synonyms
18780-67-14-Ethoxycarbonyloxy-3,5-dimethoxybenzoic acid4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoic acid4-((Ethoxycarbonyl)oxy)-3,5-dimethoxybenzoic acidCarbethoxysyringic acidBenzoic acid, 4-[(ethoxycarbonyl)oxy]-3,5-dimethoxy-MFCD00002503EINECS 242-567-94-(Ethoxycarbonyl)oxy-3,5-dimethoxybenzoic acidOprea1_522306SCHEMBL1286210DTXSID80940253
Show more names
LABOTEST-BB LT00452737O-Carbethoxysyringic acid4-ETHOXYCARBOXY-3,5-DIMETHOXYBENZOIC ACID4-carbethoxyoxy-3,5-dimethoxy-benzoic acid4-Ethoxycarbonyloxy-3,5-dimethoxybenzoic acid,96%4-ETHOXYCARBONYLOXY-3,5-DIMETHOXYBENZOIC ACID 96%
BBL027385SBB057749AKOS005173853FC70621VS-085344-Ethoxycarboxyl-3,5-dimethoxybenzoic acidCS-0324098NS00048814
Database identifiers
- CAS
18780-67-1
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 180 · 180-185 °C
- Boiling point
- 373.35 °C · 373.35°C (rough estimate)
- Density
- 1.3938 · 1.3938 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 3.83 · 3.83±0.10(Predicted)
- form
- Powder
- color
- Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
- HazardClass
- IRRITANT
- HS Code
- 29189990 · 29189990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29189990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers12 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
陕西伊坤特医药科技有限公司18049260030 18049260030 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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