Basic information
- CAS
21078-72-8- Standard SMILES
CCCCCCC(C)(O)CC- InChIKey
VZBFPIMCUSPDLS-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 3-Nonanol, 3-methyl-
- IUPAC
- 3-methylnonan-3-ol
- English name
- 3-Methyl-3-nonanol
- Molecular formula
- C10H22O
- Molecular weight
- 158.28
Names & synonyms
3-Methyl-3-nonanol21078-72-83-Nonanol, 3-methyl-DTXSID30885160EINECS 244-195-2AI3-24778RefChem:95070DTXCID401024558VZBFPIMCUSPDLS-UHFFFAOYSA-N3-Methylnonan-3-ol3-Methylnonanol-33-methyl-nonan-3-ol
Show more names
3-methyl-3-nonanoETHYL N-HEXYL METHYL CARBINOL
3-METHYL NONANOL-3MFCD00046612SCHEMBL308714SCHEMBL6047721SCHEMBL6159229SCHEMBL10352232SCHEMBL28871453AKOS009159494
Database identifiers
- CAS
21078-72-8- PubChem CID
- 89428
- DTXSID
DTXSID30885160- EC Number
- 244-195-2
- Nikkaji
- J192.686A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 90.9
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -1.53 °C · -1.53°C (estimate)
- Boiling point
- 213.4 °C · 213.4°C (estimate)
- Density
- 0.827 · 0.8270
- refractive index
- 1.436 · 1.4360
- pka
- 15.51 · 15.51±0.29(Predicted)
- Henry's Law Constant
- 3.2 · 3.2×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- CAS DataBase Reference
- 21078 · 21078-72-8(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · 3-Nonanol, 3-methyl- (21078-72-8)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: 3-Nonanol, 3-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Nonanol, 3-methyl-: INACTIVE
Suppliers16 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
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成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
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厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
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DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
5 records
Compound notes
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