Basic information
- CAS
1653-35-6- Standard SMILES
CCCCCCCC(O)CCCCCCC- InChIKey
AXCJQGZCVXCVAG-UHFFFAOYSA-N- Molecular formula
- C15H32O
- Average molar mass
- 228.41 g/mol
- Monoisotopic mass
- 228.24531564
Overview
Pentadecan-8-ol is a secondary fatty alcohol that is pentadecane substituted by a hydroxy group at position 8. It has a role as a plant metabolite. It is a secondary fatty alcohol and a pentadecanol.
Names & identifiers
- Preferred name
- Pentadecan-8-ol
- IUPAC
- pentadecan-8-ol
- English name
- pentadecan-8-ol
- Molecular formula
- C15H32O
- Molecular weight
- 228.41
Names & synonyms
Pentadecan-8-ol8-PENTADECANOL1653-35-6EINECS 216-726-8DTXSID60167880NSC 158535RefChem:859715DTXCID1090371216-726-81-Heptyloctyl alcoholMFCD000219578-?Pentadecanol
Show more names
8-Pentadecyl alcohol
8-hydroxypentadecaneNSC158535SCHEMBL2507518SCHEMBL6434099CHEBI:197385AKOS014482552NSC-158535AS-76044
Database identifiers
- CAS
1653-35-6- PubChem CID
- 74245
- DTXSID
DTXSID60167880- ChEBI
CHEBI:197385- EC Number
- 216-726-8
- Nikkaji
- J104.699C
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 109
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 53.5 · 53.5-54.3 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 300.24 °C · 300.24°C (estimate)
- Density
- 0.8221 · 0.8221 (estimate)
- refractive index
- 1.4249 · 1.4249 (estimate)
- storage temp.
- Store at room temperature
- pka
- 15.36 · 15.36±0.20(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C15H32O/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
- InChIKey
- AXCJQGZCVXCVAG-UHFFFAOYSA-N
- SMILES
- CCCCCCCC(O)CCCCCCC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers49 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
中科百睿（大连）科技有限公司13654249165 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
上海有米得科技有限公司18964944463 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海道鞅科技有限公司QQ:3150471267 13381681725 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
Related reactions
1 records
Compound notes
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