Basic information
- CAS
26248-69-1- Standard SMILES
CC(=O)OCCCCOC(C)=O- InChIKey
XUKSWKGOQKREON-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920893
Overview
1,4-diacetoxybutane is an acetate ester obtained by the formal condensation of the two hydroxy groups of butane-1,4-diol with two molecules of acetic acid. It has a role as a metabolite. It is functionally related to a butane-1,4-diol.
Names & identifiers
- Preferred name
- Butylene glycol diacetate
- IUPAC
- 4-acetyloxybutyl acetate
- English name
- 1,4-Diacetoxybutane
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
1,4-Diacetoxybutane628-67-1Tetramethylene diacetateButylene glycol diacetateTetramethylene acetate1,4-Butanediol, diacetateDX4C8Q6BNSNSC-67924CHEBI:87345RefChem:4166451,4-Butanediol diacetate4-acetyloxybutyl acetate
Show more names
1,4-BDDA1,4-BDDA 99%cas no. 628-67-1ButanedioldiacetateTIMTEC-BB SBB008237Diethylene diacetate1,4-BUTYLENE DIACETATE1,4-Diacetoxybutane >
1,4-Butylene glycol diacetate4-(Acetyloxy)butyl acetate1,4-Butanediol, 1,4-diacetatebutane-1,4-diyl diacetateMFCD00014984NSC 6792426248-69-133934-62-2
Database identifiers
- CAS
26248-69-1、628-67-1- PubChem CID
- 69410
- DTXSID
DTXSID70879240- ChEBI
CHEBI:87345- UNII
- DX4C8Q6BNS
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
LogP0.01
Physicochemical properties
- Melting point
- 12 · 12-15°C
- Boiling point
- 130 · 130-131°C 20mm
- Density
- 1 · 1,048 g/cm3
- refractive index
- 1.424 · 1.4240
- Flash point
- 230 °C · 230°C
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- 34.94 g/L · 34.94g/L(26 ºC)
- BRN
- 1768757 · 1768757
- InChI
- InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
- InChIKey
- XUKSWKGOQKREON-UHFFFAOYSA-N
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: Poly(oxy-1,4-butanediyl), .alpha.-acetyl-.omega.-(acetyloxy)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2917.19.7050
- safety_code
- 24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
1,4-Butanediol, 1,4-diacetate: ACTIVE
Poly(oxy-1,4-butanediyl), .alpha.-acetyl-.omega.-(acetyloxy)-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers77 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
8 records
Compound notes
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