Basic information
- CAS
180-84-7- Standard SMILES
C1CCC2(CCCCO2)OC1- InChIKey
GBBVHDGKDQAEOT-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Overview
(S)-1,7-Dioxaspiro[5.5]undecane is a ketal.
Names & identifiers
- Preferred name
- Olean
- IUPAC
- 1,7-dioxaspiro[5.5]undecane
- English name
- 1,7-Dioxaspiro[5.5]undecane
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
1,7-Dioxaspiro[5.5]undecane180-84-71,7-Dioxaspiro(5.5)undecaneOlean1,7-dioxaspiro[5,5]undecaneDTXSID2040735KHI3QEQ4ZJDTXCID00207351,7-dioxaspiro(5,5)undecaneRefChem:928152205-870-7Eco-Trap
Show more names
SPIROKETALDioxaspiroundecaneDioxaspiro[5.5]undecane1,7-DIOXASPIRO5.5UNDECANE,98+%1,7-Dioxaspiro5.5üundecane, 98%1,7-Dioxaspiro(5.5)undecane,97%1,7-Dioxaspiro5.5üundecane, 98+%
Olive-fly ketal(S)-1,7-Dioxaspiro[5.5]undecane(R)-1,7-Dioxaspiro[5.5]undecaneMFCD000115781,7-DioxasEINECS 205-870-71,7-dioxaspiro[5.5]undecanCHEBI:195752
Database identifiers
- CAS
180-84-7- PubChem CID
- 67437
- DTXSID
DTXSID2040735- ChEMBL
CHEMBL2135489- ChEBI
CHEBI:195752- UNII
- KHI3QEQ4ZJ
- EC Number
- 205-870-7
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Lipids
Polyketides [PK] -> Polyether antibiotics [PK09]
Polyketides [PK] -> Polyether antibiotics [PK09]
Physicochemical properties
- Boiling point
- 193 °C750 · 193 °C750 mm Hg(lit.)
- Density
- 1.02 g/mL · 1.02 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.464(lit.)
- Flash point
- 147 °F · 147 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Water Solubility
- 1 g/L · Soluble in water 1.0g/L.
- BRN
- 105997 · 105997
- InChI
- 1S/C9H16O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1-8H2
- InChIKey
- GBBVHDGKDQAEOT-UHFFFAOYSA-N
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
- wgk
- 3
- hs_code
- 29329900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a
Chemistry & industry
Applications
UsesSuitable for use in organic farming.
Suppliers59 total
山东玖玥生物科技有限公司15553333686 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海有德化工科技有限公司021-37910092 15821801668 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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