Basic information
- CAS
26447-24-5- Standard SMILES
OOC1CCCc2ccccc21- InChIKey
YWBMNCRJFZGXJY-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
Hydroperoxide formed by the oxidation of tetralin, a DuPont product, used as a turpentine replacement. The technical grade hydroperoxide is a liquid and will have a residual odor of benzene/menthol.
Names & identifiers
- Preferred name
- Tetralin hydroperoxide
- IUPAC
- 1-hydroperoxy-1,2,3,4-tetrahydronaphthalene
- English name
- 1,2,3,4-tetrahydro-1-naphthyl hydroperoxide
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
Tetralin hydroperoxide771-29-9Tetralinhydroperoxid1,2,3,4-Tetrahydro-1-naphthyl hydroperoxideTetralinehydroperoxydeTetralinhydroperoxid [German]Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthalenylTetralinehydroperoxyde [Dutch]Hydroperoxyde de tetralineIdroperossido di tetralinaHydroperoxyde de tetraline [French]EINECS 212-230-0
Show more names
Tetralin hydroperoxide.1-hydroperoxy-1,2,3,4-tetrahydronaphthalene1,2,3,4-Tetrahydronaphthalen-1-yl hydroperoxide
Idroperossido di tetralina [Italian]CCRIS 8475AI3-12032Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthyl-1,2,3,4-tetrahydro-1-naphthalenyl hydroperoxideTETRALIN HYDROPEROXIDE, (TECHNICALLY PURE)TETRALIN HYDROPEROXIDE, [TECHNICALLY PURE]1-HYDROPEROXYTETRALIN
Database identifiers
- CAS
26447-24-5、771-29-9- PubChem CID
- 69866
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
Physical DescriptionHydroperoxide formed by the oxidation of tetralin, a DuPont product, used as a turpentine replacement. The technical grade hydroperoxide is a liquid and will have a residual odor of benzene/menthol.
Physicochemical properties
- Melting point
- 56 °C · 56 °C
- Boiling point
- 138 °C · 138 °C(Press: 16 Torr)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 11.3 · 11.30±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · Hydroperoxide, 1,2,3,4-tetrahydro-1-naphthalenyl (771-29-9)
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 242 · H242-H302-H314-H410
- Precautionary statements
- 210 · P210-P234-P235-P240-P280-P264-P270-P260-P273-P370+P378-P301+P312-P330-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P391-P403-P410-P411-P420-P405-P501
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
H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P391, P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Danger
H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P391, P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Hazard information
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity Profile
Most alkyl monohydroperoxides are liquid. The explosivity of the lower members (e.g., methyl hydroperoxide, or possibly due to traces of the dialkyl peroxides) decrease with increasing chain length and branching [Bretherick 2nd ed. 1979 p. 10]. Tetralin hydroperoxide explodes on superheating the liquid [Hock et al. Ber. 1933. pp. 66, 61]. Its interaction with strong reducing agents, like lithium tetrahydroaluminate, is vigorously exothermic.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
Organic peroxide - type D
Org. Perox. D
Safety data
Chemistry & industry
Applications
UsesTetralin hydroperoxide has been prepared by the oxidation of tetralin in the presence of cobalt naphthenate, manganese stearate, and ceric stearate or naphthenate. Tetralin hydroperoxide, produced by the oxidation of tetralin, may be separated from reaction products by formation of its sodium salt. The kinetics of the liquid-phase oxidation of tetralin have been studied . Chen and Lin used tetralin hydroperoxide as an intermediate in the hydroxylation of tetralin to tetralol in rat liver homogenate.
General DescriptionHydroperoxide formed by the oxidation of tetralin, a DuPont product, used as a turpentine replacement. The technical grade hydroperoxide is a liquid and will have a residual odor of benzene/menthol.
Upstream & downstream products
Downstream products
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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