Basic information
- CAS
6540-98-3- Standard SMILES
CCCCC(=O)C(O)CCCC- InChIKey
ORLDHCIQVZTBQQ-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 5-Decanone, 6-hydroxy-
- IUPAC
- 6-hydroxydecan-5-one
- English name
- N-VALEROIN
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
6-Hydroxy-5-decanone6540-98-35-Decanone, 6-hydroxy-EINECS 229-455-5DTXSID10884318RefChem:102438DTXCID601023768ORLDHCIQVZTBQQ-UHFFFAOYSA-N6-hydroxydecan-5-oneN-VALEROINValeroinMFCD00059663
Show more names
N-VALEROIN 97+%6-hydroxy-5-decanon
4-Hydroxydecan-5-one27620-76-45-hydroxy-6-decanone6-hydroxy-decan-5-one6-Hydroxy-5-decanone #SCHEMBL1295647SCHEMBL8804789CS-0454678
Database identifiers
- CAS
6540-98-3- PubChem CID
- 110894
- DTXSID
DTXSID10884318- EC Number
- 229-455-5
- Nikkaji
- J209.073B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 151 · 151-152 °C
- Boiling point
- 92 °C · 92 °C / 3mmHg
- Density
- 0.91 · 0.91
- refractive index
- 1.437 to · 1.4370 to 1.4390
- pka
- 13.13 · 13.13±0.20(Predicted)
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- LogP
- 2.758 · 2.758 (est)
- CAS DataBase Reference
- 6540 · 6540-98-3
- EPA Substance Registry System
- 5 · 5-Decanone, 6-hydroxy- (6540-98-3)
- 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 Information5-Decanone, 6-hydroxy-: INACTIVE
Suppliers15 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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