Basic information
- CAS
630-07-9- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
VHQQPFLOGSTQPC-UHFFFAOYSA-N- Molecular formula
- C35.H72
- Average molar mass
- 492.9 g/mol
- Monoisotopic mass
- 492.5634023
Overview
pentatriacontane has been reported in Vanilla madagascariensis, Andrachne rotundifolia, and other organisms with data available.
Names & identifiers
- Preferred name
- Pentatriacontane
- IUPAC
- pentatriacontane
- English name
- n-Pentatriacontane
- Molecular formula
- C35H72
- Molecular weight
- 0
Names & synonyms
Pentatriacontane630-07-9N-PENTATRIACONTANENSC 125400KP13LFH341NSC-125400UNII-KP13LFH341DTXSID9074723Pentatriacontane (8CI)(9CI)Pentatriacontane (8CI)RefChem:171475DTXCID8043606
Show more names
VHQQPFLOGSTQPC-UHFFFAOYSA-NMFCD00059397C35H72SCHEMBL198662SCHEMBL198663SCHEMBL199152SCHEMBL199276SCHEMBL199882
Database identifiers
- CAS
630-07-9- PubChem CID
- 12413
- DTXSID
DTXSID9074723- UNII
- KP13LFH341
- EC Number
- 685-675-5
- Nikkaji
- J123.014J
Properties
Computed structural properties
- XLogP
- 18.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 32
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Chemical Classesn-Alkane
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
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
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety & protection
Protective Action Criteria (PAC)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
Chemistry & industry
Suppliers62 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…