Basic information
- CAS
1069-23-4- Standard SMILES
C=CC(O)C(O)C=C- InChIKey
KUQWZSZYIQGTHT-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Overview
See also: Calcium Polycarbophil (monomer of); Polycarbophil (monomer of).
Names & identifiers
- Preferred name
- Divinyl glycol
- IUPAC
- hexa-1,5-diene-3,4-diol
- English name
- 1,5-Hexadiene-3,4-diol
- Molecular formula
- C6H10O2
- Molecular weight
- 114.14
Names & synonyms
divinyl glycolHexa-1,5-diene-3,4-diolDivinylglycol1,5-HEXADIENE,3,4-DIHYDROXY-3,4-Dihydroxy-1,5-hexadieneAI3-14412NSC 60695Z957Z497HKEINECS 213-955-5UNII-Z957Z497HKNSC-60695RefChem:7330
Show more names
DVGvinyloxyethaneDIVINYLOXYETHANE1,5-HEXADIEN-3,4-DIOL1,5-hexyldiene-3,4-diol
213-955-51,5-Hexadiene-3,4-diol1069-23-41,2-DivinylglycolDivinylethylene GlycolDivinylglykolMFCD000811291,5-Hexadiene-3,4-diol (stabilized with HQ)
Database identifiers
- CAS
1069-23-4- PubChem CID
- 14042
- DTXSID
DTXSID90871822- UNII
- Z957Z497HK
- EC Number
- 213-955-5
- Nikkaji
- J36.960H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 76.5
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 14 · 14-16 °C(lit.)
- Boiling point
- 125 °C45 · 125 °C45 mm Hg(lit.)
- Density
- 1.02 g/mL · 1.02 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.479(lit.)
- Flash point
- 199 °F · 199 °F
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol
- form
- clear liquid
- pka
- 13.27 · 13.27±0.20(Predicted)
- color
- Colorless to Light yellow to Light orange
- Odor
- Faint, musty -vinous odor.
- optical activity
- -0.38 ° · -0.38°(C=1g/100ml CHCL3)
- InChI
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
Danger
H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,5-Hexadiene-3,4-diol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (95.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- MM2100000
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29053980
- risk_code
- 23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 6.1(b)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemistry & industry
Applications
Uses1,5-Hexadiene-3,4-diol has found a little use in perfume compositions, mainly as a blender, solvent, and for its specific gravity, being almost identical to that of water. Overall for technical purposes more than for olfactory.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18062128043 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖北云镁科技有限公司027-59206672 18327059871 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
江苏豪隆化工有限公司0513-89083520 13328092525 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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