Basic information
- CAS
68526-79-4- Standard SMILES
CCCC(C)CCCO- InChIKey
LLUQZGDMUIMPTC-UHFFFAOYSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Overview
4-methyl-1-heptanol has been reported in Zanthoxylum schinifolium with data available.
Names & identifiers
- Preferred name
- 4-Methyl-1-heptanol
- IUPAC
- 4-methylheptan-1-ol
- English name
- 4-Methyl-1-heptanol
- Molecular formula
- C8H18O
- Molecular weight
- 130.23
Names & synonyms
4-Methyl-1-heptanol817-91-41-Heptanol, 4-methyl-UNII-5W3F8V410R5W3F8V410RRefChem:99698(+-)-4-METHYL-1-HEPTANOL4-METHYL-1-HEPTANOL, (+-)-831-709-0LLUQZGDMUIMPTC-UHFFFAOYSA-N4-methylheptan-1-olMFCD00060841
Show more names
4-methylheptylol
4-Methyl-heptan-1-olSCHEMBL497221SCHEMBL497222SCHEMBL9943702DTXSID001002134AAA81791AKOS011898069(+/-)-4-METHYL-1-HEPTANOL
Database identifiers
- CAS
68526-79-4、817-91-4- PubChem CID
- 109451
- DTXSID
DTXSID001002134- UNII
- 5W3F8V410R
- EC Number
- 831-709-0
- Nikkaji
- J721.243G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 52.5
Physicochemical properties
- Melting point
- -61.15 °C · -61.15°C (estimate)
- Boiling point
- 182.7 °C · 182.7°C
- Density
- 0.8065 · 0.8065
- refractive index
- 1.4253 · 1.4253
- pka
- 15.17 · 15.17±0.10(Predicted)
- Henry's Law Constant
- 9.3 · 9.3×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 4.53 · 4.5300000000000002
- LogP
- 2.721 · 2.721 (est)
- FDA UNII
- 5 W3F8V410R · 5W3F8V410R
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H335-H315-H319
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H335-H315-H319
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers11 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [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]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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