Basic information
- CAS
29804-22-6- Standard SMILES
CCCCCCCCCC[C@H]1O[C@H]1CCCCC(C)C- InChIKey
HFOFYNMWYRXIBP-MOPGFXCFSA-N- Molecular formula
- C19H38O
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.29226583
Overview
2-methyl-7S,8R-Epoxy-octadecane is an epoxide.
Names & identifiers
- Preferred name
- Disparlure
- IUPAC
- (2R,3S)-2-decyl-3-(5-methylhexyl)oxirane
- English name
- [2R,3S,(-)]-2-Decyl-3-(5-methylhexyl)oxirane
- Molecular formula
- C19H38O
- Molecular weight
- 282.51
Names & synonyms
Disparlure29804-22-6cis-7,8-Epoxy-2-methyloctadecaneOxirane, 2-decyl-3-(5-methylhexyl)-, (2R,3S)-rel-1FU18G2315DTXSID4035548DISRUPT II GMRefChem:589567DTXCID2015548ENT-34886249-861-6260-747-5
Show more names
(-)-cis-Disparlure2α-Decyl-3α-(5-methylhexyl)oxirane[2R,3S,(-)]-2-Decyl-3-(5-methylhexyl)oxiraneOxirane, 2-decyl-3-(5-methylhexyl)-, (2R,3S)-
2-Methyl-7,8-epoxyoctadecane7,8-Epoxy-2-methyloctadecaneAtralymon(2R,3S)-2-decyl-3-(5-methylhexyl)oxiraneEpoxan(-)-Disparlure(+/-)-DisparlureDisparlure, cis-(-)-
Database identifiers
- CAS
29804-22-6、54910-52-0- PubChem CID
- 62850
- DTXSID
DTXSID4035548- ChEBI
CHEBI:179293- UNII
- 1FU18G2315、E5FWS893X3
- EC Number
- 249-861-6
- Nikkaji
- J57.956D
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
Physicochemical properties
- Boiling point
- 133 °C · 133 °C(Press: 0.11 Torr)
- Density
- 0.845 · 0.845±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- FDA UNII
- 5 FWS893X3 · E5FWS893X3
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOxirane, 2-decyl-3-(5-methylhexyl)-, (2R,3S)-rel-: INACTIVE
Suppliers18 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北信康医药化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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