Basic information
- CAS
1002-43-3- Standard SMILES
CCCCCCCCC(C)CC- InChIKey
HTZWVZNRDDOFEI-UHFFFAOYSA-N- Molecular formula
- C12H26
- Average molar mass
- 170.33 g/mol
- Monoisotopic mass
- 170.20345083
Names & identifiers
- Preferred name
- 3-Methylundecane
- IUPAC
- 3-methylundecane
- English name
- 3-METHYLUNDECANE
- Molecular formula
- C12H26
- Molecular weight
- 170.34
Names & synonyms
3-METHYLUNDECANEUndecane, 3-methyl-2-Ethyl-decaneDTXSID40862508Undecane, 3methylRefChem:94977DTXCID40811258678-596-2HTZWVZNRDDOFEI-UHFFFAOYSA-N1002-43-31-Butyl-3-ethylimidazolium 1,1,2,2-tetrafluoroethanesulfonate, >98%Nonane, ethylmethyl-
Show more names
98%methylundecanes ≥DCHA ≥DIPA ≥Biuret ≥mol wt 468mol wt 869Uridine ≥Oxamide &ge
SCHEMBL100742SCHEMBL199645SCHEMBL450926SCHEMBL453968SCHEMBL582532SCHEMBL1901792SCHEMBL5684592SCHEMBL5985490
Database identifiers
- CAS
1002-43-3- PubChem CID
- 13845
- DTXSID
DTXSID40862508- EC Number
- 678-596-2
- Nikkaji
- J124.861H
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 76.1
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -58 °C · -58°C
- Boiling point
- 211 °C · 211 °C
- Density
- 0.75 · 0.75
- refractive index
- 1.4208 · 1.4208
- Henry's Law Constant
- 1.1 · 1.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- LogP
- 6.665 · 6.665 (est)
- CAS DataBase Reference
- 1002 · 1002-43-3
- EPA Substance Registry System
- 3 · Undecane, 3-methyl- (1002-43-3)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H304 (50%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P301+P316, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummarySee Undecane.
Hazard Classes and CategoriesAsp. Tox. 1 (50%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H304
Chemistry & industry
Applications
Uses3-Methylundecane is a useful research chemical, a volatile component of clove oil.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers21 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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