Basic information
- CAS
177-10-6- Standard SMILES
C1CCC2(CC1)OCCO2- InChIKey
GZGPRZYZKBQPBQ-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 1,4-Dioxaspiro(4.5)decane
- IUPAC
- 1,4-dioxaspiro[4.5]decane
- English name
- 2,2-Pentamethylene-1,3-dioxolane
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
1,4-Dioxaspiro[4.5]decane2,2-PENTAMETHYLENE-1,3-DIOXOLANECyclohexanone ethylene ketalCyclohexanone ethylene acetal1,4-Dioxaspiro(4.5)decane(Ethylenedioxy)cyclohexaneEINECS 205-867-0Spiro(cyclohexane-1,2'-(1,3)dioxolane)AI3-22536NSC 87562BRN 0104573Cyclohexanone ethlyene ketal
Show more names
ETHYLENEOXYCYCLOHEXANECYCLOHEXANONE ETHYLENEKETALcyclohexanoneethyleneacetal2,2-Pentamethylene-1,3-dioxolane,99%2 2-PENTAMETHYLENE-1 3-DIOXOLANE 97%
DTXSID201702345-19-01-00222 (Beilstein Handbook Reference)Spiro[cyclohexane-1,2'-[1,3]dioxolane]RefChem:73337DTXCID7092725205-867-0GZGPRZYZKBQPBQ-UHFFFAOYSA-NInChI=1/C8H14O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H
Database identifiers
- CAS
177-10-6- PubChem CID
- 9093
- DTXSID
DTXSID20170234- ChEMBL
CHEMBL5266598- UNII
- YY2BN9VJ8R
- EC Number
- 205-867-0
- Nikkaji
- J42.120K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 176 · 176-180 °C
- Boiling point
- 73 °C16 · 73 °C16 mm Hg(lit.)
- Density
- 1.028 g/mL · 1.028 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.459(lit.)
- Flash point
- 156 °F · 156 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- color
- Colourless
- Specific Gravity
- 1.028 · 1.028
- FDA UNII
- 2 BN9VJ8R · YY2BN9VJ8R
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- rtecs
- JH2800000
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers39 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
天津合信成化工科技有限公司13752273685 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
Related reactions
6 records
Compound notes
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