Tert-butylhydroquinone diacetate
Basic information
- CAS
7507-48-4- Standard SMILES
CC(=O)Oc1ccc(OC(C)=O)c(C(C)(C)C)c1- InChIKey
SJRALGDWZXRRKL-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- Tert-butylhydroquinone diacetate
- IUPAC
- (4-acetyloxy-3-tert-butylphenyl) acetate
- English name
- TERT-BUTYLHYDROQUINONE DIACETATE
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
TERT-BUTYLHYDROQUINONE DIACETATE7507-48-42-tert-Butyl-1,4-phenylene diacetate(4-acetyloxy-3-tert-butylphenyl) acetateMFCD00078251NSC-407992EINECS 231-364-0NSC407992AI3-19366JF7FYD2EV6SCHEMBL7570534tert-Butylhydroquinone, diacetate
Show more names
Diacetoxy-tert-butylbenzene1,4-Diacetoxy-2-tert-butylbenzeneDiacetic acid 2-tert-butyl-1,4-phenylene ester2-(1,1-Dimethylethyl)-1,4-benzenediol diacetateDiacetic acid 2-tert-butylbenzene-1,4-diyl ester2-[2-tert-butyl-5-(carboxylatoMethyl)-3,6-dihydroxyphenyl]acetate
1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 1,4-diacetateDTXSID202260432-tert-Butyl-1,4-phenylenediacetateAKOS005146300NSC 407992(4-acetoxy-3-tert-butyl-phenyl) acetate4-acetyloxy-2-(tert-butyl)phenyl acetateCS-11477
Database identifiers
- CAS
7507-48-4- PubChem CID
- 82020
- DTXSID
DTXSID20226043- UNII
- JF7FYD2EV6
- EC Number
- 231-364-0
- Nikkaji
- J307.852C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 64.5 · 64.5-65.5 °C
- Boiling point
- 337.1 · 337.1±42.0 °C(Predicted)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- InChI=1S/C14H18O4/c1-9(15)17-11-6-7-13(18-10(2)16)12(8-11)14(3,4)5/h6-8H,1-5H3
- InChIKey
- SJRALGDWZXRRKL-UHFFFAOYSA-N
- SMILES
- C1(OC(=O)C)=CC=C(OC(=O)C)C=C1C(C)(C)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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