Basic information
- CAS
818-49-5- Standard SMILES
CCC(C)CCCO- InChIKey
YNPVNLWKVZZBTM-UHFFFAOYSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Overview
4-Methylhexan-1-ol has been reported in Streptomyces and Punica granatum with data available.
Names & identifiers
- Preferred name
- 4-Methylhexan-1-ol
- IUPAC
- 4-methylhexan-1-ol
- English name
- 4-Methyl-1-hexanol
- Molecular formula
- C7H16O
- Molecular weight
- 116.2
Names & synonyms
4-Methyl-1-hexanol4-methylhexan-1-ol1-Hexanol, 4-methyl-4-MethylhexanolDTXSID608624241-Hexanol, 4-methyl-, (S)-NSC 109153RefChem:99889DTXCID80811191YNPVNLWKVZZBTM-UHFFFAOYSA-NYNPVNLWKVZZBTM-ZETCQYMHSA-N818-49-5
Show more names
(±)-4-methyl-hexan-1-ol4-methylhexanol,4-methyl-1-hexanol
NSC-109153NSC1091534-methyl-hexan-1-ol4-ETHYL PENTANOL7V4YSK64WMSCHEMBL261867SCHEMBL497386orb3021412
Database identifiers
- CAS
818-49-5- PubChem CID
- 98346
- DTXSID
DTXSID60862424- UNII
- 7V4YSK64WM
- Nikkaji
- J99.928H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 43.7
Physicochemical properties
- Melting point
- -30.45 °C · -30.45°C (estimate)
- Boiling point
- 173 °C · 173°C
- Density
- 0.82 · 0.8200
- refractive index
- 1.423 · 1.4230
- pka
- 15.2 · 15.20±0.10(Predicted)
- Odor
- sweaty
- Henry's Law Constant
- 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997)
- LogP
- 2.211 · 2.211 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers14 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [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]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
BOC Sciences
Related reactions
2 records
Compound notes
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