Basic information
- CAS
108-58-7- Standard SMILES
CC(=O)Oc1cccc(OC(C)=O)c1- InChIKey
STOUHHBZBQBYHH-UHFFFAOYSA-N- Molecular formula
- C10H10O4
- Average molar mass
- 194.18 g/mol
- Monoisotopic mass
- 194.0579088
Names & identifiers
- Preferred name
- 1,3-Diacetoxybenzene
- IUPAC
- (3-acetyloxyphenyl) acetate
- English name
- 1,3-Diacetoxybenzene
- Molecular formula
- C10H10O4
- Molecular weight
- 194.18
Names & synonyms
1,3-Diacetoxybenzene108-58-7Resorcinol diacetatem-Phenylenediacetate1,3-Benzenediol, diacetatem-Phenylene di(acetate)RESORCINOL, DIACETATE1,3-Dihydroxybenzene diacetateDihydroxybenzene diacetate1,3-Benzenediol, 1,3-diacetateNSC 4885EINECS 203-596-2
Show more names
1,3-PHENYLENE DIACETATEM-phenylene diResorcinyl acetateM-DIACETOXYBENZENE3-PHENYLENEDIACETATEEtamsylate Impurity 301,3-Diacetoxybenzene,99%
BRN 1875007AI3-06314597VWV715KNSC-4885M-ACETOXYPHENYL ACETATEDTXSID30883303M-DIHYDROXYBENZENE DIACETATE4-06-00-05673 (Beilstein Handbook Reference)
Database identifiers
- CAS
108-58-7- PubChem CID
- 7942
- DTXSID
DTXSID30883303- UNII
- 597VWV715K
- EC Number
- 203-596-2
- Nikkaji
- J31.562A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 145 · 145-146 °C
- Boiling point
- 146 °C12 · 146 °C12 mm Hg(lit.)
- Density
- 1.178 g/mL · 1.178 g/mL at 25 °C(lit.)
- vapor pressure
- 1.83 Pa · 1.83Pa at 25℃
- refractive index
- 20 · n20/D 1.503(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.178 · 1.178
- Water Solubility
- HYDROLYSIS
- BRN
- 1875007 · 1875007
- LogP
- 1.87 · 1.87
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 (88.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3-Benzenediol, diacetate
REACH registered substance: m-phenylene di(acetate) (EC: 203-596-2)
Hazard Classes and CategoriesSkin Irrit. 2 (88.2%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- VH0580000
- hs_code
- 2915.39.3500
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenediol, 1,3-diacetate: ACTIVE
Suppliers76 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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [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]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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