Hexanedioic acid--butane-1,4-diol (1/1)
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Basic information
- CAS
105866-32-8- Standard SMILES
O=C(O)CCCCC(=O)O.OCCCCO- InChIKey
RNSLCHIAOHUARI-UHFFFAOYSA-N- Molecular formula
- C10H20O6
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.12598835
Names & identifiers
- Preferred name
- Hexanedioic acid--butane-1,4-diol (1/1)
- IUPAC
- butane-1,4-diol;hexanedioic acid
- English name
- POLY(1,4-BUTYLENE ADIPATE)
- Molecular formula
- (C6H10O4.C4H10O2)x
- Molecular weight
- 236.26
Names & synonyms
DTXSID70909773Hexanedioic acid--butane-1,4-diol (1/1)105866-32-8RefChem:1086591DTXCID701338833butane-1,4-diol;hexanedioic acidPolybutylene adipateadipic acid;butane-1,4-diolSCHEMBL208718RNSLCHIAOHUARI-UHFFFAOYSA-NMFCD00084364Adipic acid-1,4-butanediol copolymer
Show more names
PolybutilatePoly(butylene adipate).Polybutyleneglycoladipatepolybutylene adipate diolPOLY(1,4-BUTYLENE ADIPATE)POLY(1,4-BUTANEDIOL ADIPATE)1,4-BUTYLENE ADIPATE POLYMERPoly(tetramethylene adipate)butane-1,4-diol,hexanedioicaciBUTANEDIOL/ADIPIC ACID COPOLYMER
Poly(butylene adipate), Poly(tetramethylene adipate), PBAG, Adipic acid-1,4-butanediol copolymer
Database identifiers
- CAS
105866-32-8、25103-87-1、86923-79-7- PubChem CID
- 32794
- DTXSID
DTXSID70909773
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Melting point
- 56 · 56-60 °C
- Boiling point
- 350 °C · >350 °C(lit.)
- Tg
- -68 · -68
- Density
- 1.019 g/mL · 1.019 g/mL at 25 °C (lit.)
- Flash point
- 113 °C · 113 °C
- form
- chips
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- InChI
- 1S/C6H10O4.C4H10O2/c7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6/h1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2
- InChIKey
- RNSLCHIAOHUARI-UHFFFAOYSA-N
- SMILES
- OCCCCO.OC(=O)CCCCC(O)=O
- CAS DataBase Reference
- 25103 · 25103-87-1
- Indirect Additives used in Food Contact Substances
- POLY(BUTYLENE ADIPATE)
- FDA 21 CFR
- 175.105 · 175.105; 175.300; 177.1390;177.2420
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · Hexanedioic acid, polymer with 1,4-butanediol (25103-87-1)
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 39079999
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesInjection molding for automotive, mechanical and electronic industries.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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