Basic information
- CAS
2999-40-8- Standard SMILES
CC(=O)Oc1cc(OC(C)=O)cc(OC(C)=O)c1- InChIKey
CLWKAMVDWLTMKD-UHFFFAOYSA-N- Molecular formula
- C12H12O6
- Average molar mass
- 252.22 g/mol
- Monoisotopic mass
- 252.0633881
Overview
1,3,5-Benzenetriol, triacetate has been reported in Sargassum muticum, Eisenia arborea, and Cystophora retroflexa with data available.
Names & identifiers
- Preferred name
- Phloroglucinol triacetate
- IUPAC
- (3,5-diacetyloxyphenyl) acetate
- English name
- PHLOROGLUCINOL TRIACETATE
- Molecular formula
- C12H12O6
- Molecular weight
- 252.22
Names & synonyms
Phloroglucinol triacetate(3,5-diacetyloxyphenyl) acetateRefChem:861872673-683-12999-40-8benzene-1,3,5-triyl triacetate1,3,5-triacetoxybenzene1,3,5-Benzenetriol, triacetatePholoroglucinol Triacetate3,5-Bis(acetyloxy)phenyl acetateMFCD00017225acetic acid 3,5-diacetoxy-phenyl ester
Show more names
(3,5-diacetyloxyphenyl) ethanoate1,3,5-Benzenetriol, 1,3,5-triacetateacetic acid (3,5-diacetoxyphenyl) ester
NSC 16958(3,5-diacetoxyphenyl) acetateSCHEMBL1451270SCHEMBL2010436DTXSID60184077Acetate, 3,5-di(acetyloxy)phenylHMS1786O10NSC16958
Database identifiers
- CAS
2999-40-8- PubChem CID
- 76347
- DTXSID
DTXSID60184077- EC Number
- 673-683-1
- Nikkaji
- J650.618F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 104 · 104~105℃
- Boiling point
- 348.7 · 348.7±22.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
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
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
2 records
Compound notes
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