Basic information
- CAS
18516-37-5- Standard SMILES
C=C(C)CCCCCCCCC- InChIKey
SJVKHZYVCVKEGM-UHFFFAOYSA-N- Molecular formula
- C12H24
- Average molar mass
- 168.32 g/mol
- Monoisotopic mass
- 168.18780077
Names & identifiers
- Preferred name
- 2-Methyl-1-undecene
- IUPAC
- 2-methylundec-1-ene
- English name
- 2-Methyl-1-undecene
- Molecular formula
- C12H24
- Molecular weight
- 168.32
Names & synonyms
2-Methyl-1-undecene2-Methylundec-1-ene1-Undecene, 2-methyl-KX42D9YCJ2EINECS 242-394-9NSC-93957DTXSID60171725NSC 93957RefChem:88019DTXCID7094216SJVKHZYVCVKEGM-UHFFFAOYSA-N18516-37-5
Show more names
1-undecene,2-methyl-2-Methyl-1-undecene,97%2-METHYL-1-UNDECENE ISO 9001：2015 REACH
MFCD00009585NSC939572-methyl-undec-1-eneUNII-KX42D9YCJ22-Methyl-1-undecene, 97%SCHEMBL1261681SCHEMBL3460218SCHEMBL7769367
Database identifiers
- CAS
18516-37-5- PubChem CID
- 87689
- DTXSID
DTXSID60171725- UNII
- KX42D9YCJ2
- EC Number
- 242-394-9
- Nikkaji
- J125.004C
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 103
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -40.77 °C · -40.77°C
- Boiling point
- 207.3 °C · 207.3°C (estimate)
- Density
- 0.757 g/mL · 0.757 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.432(lit.)
- Flash point
- 162 °F · 162 °F
- BRN
- 1739514 · 1739514
- Henry's Law Constant
- 3.4 · 3.4×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C12H24/c1-4-5-6-7-8-9-10-11-12(2)3/h2,4-11H2,1,3H3
- InChIKey
- SJVKHZYVCVKEGM-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCC(C)=C
- FDA UNII
- 42 D9YCJ2 · KX42D9YCJ2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
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
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- hs_code
- 29012900
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- F
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H301+H311+H331-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Chemistry & industry
Suppliers8 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
9 records
Compound notes
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