Basic information
- CAS
1706-69-0- Standard SMILES
CCCCCCCCc1cc(O)ccc1O- InChIKey
ZZXILYOBAFPJNS-UHFFFAOYSA-N- Molecular formula
- C14H22O2
- Average molar mass
- 222.32 g/mol
- Monoisotopic mass
- 222.16197994
Names & identifiers
- Preferred name
- Octylhydroquinone
- IUPAC
- 2-octylbenzene-1,4-diol
- English name
- 2-tert-Octylbenzene-1,4-diol
- Molecular formula
- C14H22O2
- Molecular weight
- 222.32
Names & synonyms
1706-69-02-Octylhydroquinone1,4-Benzenediol, 2-octyl-octylhydroquinone3SP3K6Z2GU2-OCTYL-1,4-BENZENEDIOLNSC-99310DTXSID8061892RefChem:856135DTXCID0035453216-945-92-octylbenzene-1,4-diol
Show more names
2-Tert-octylhydroquinone2-Octyl-1,4-dihydroxybenzene2-tert-Octyl-1,4-dihydroxybenzene2-(2-methylheptan-2-yl)benzene-1,4-diol2-(1,1,3,3-tetramethylbutyl)benzene-1,4-diol
2-tert-Octylbenzene-1,4-diolHydroquinone, octyl-NSC993101, 2-octyl-UNII-3SP3K6Z2GUNCIOpen2_006593SCHEMBL69169EINECS 216-945-9
Database identifiers
- CAS
1706-69-0- PubChem CID
- 74352
- DTXSID
DTXSID8061892- UNII
- 3SP3K6Z2GU
- EC Number
- 216-945-9
- Nikkaji
- J38.245K
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 94 · 94-94.5 °C
- Boiling point
- 180 · 180-190 °C(Press: 0.1 Torr)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- pka
- 10.79 · 10.79±0.18(Predicted)
- FDA UNII
- 3 SP3K6Z2GU · 3SP3K6Z2GU
- EPA Substance Registry System
- 1 · 1,4-Benzenediol, 2-octyl- (1706-69-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediol, 2-octyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers11 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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