Basic information
- CAS
629-23-2- Standard SMILES
CCCCCCCCCCCC(=O)CC- InChIKey
OCHYRSKMMMYUMI-UHFFFAOYSA-N- Molecular formula
- C14H28O
- Average molar mass
- 212.37 g/mol
- Monoisotopic mass
- 212.21401551
Names & identifiers
- Preferred name
- 3-Tetradecanone
- IUPAC
- tetradecan-3-one
- English name
- 3-TETRADECANONE
- Molecular formula
- C14H28O
- Molecular weight
- 212.37
Names & synonyms
3-TetradecanoneTetradecan-3-one8A6HE775UWNSC-158516DTXSID30212073NSC 1585163TetradecanoneRefChem:95456DTXCID30134564OCHYRSKMMMYUMI-UHFFFAOYSA-N629-23-2Ethyl Undecyl Ketone
Show more names
tetradecanone3-TETRADECANONE 97%3-TETRADECANONE 95+%ETHYL N-UNDECYL KETONE3-TETRADECANONE USP/EP/BP
MFCD00026563AI3-04251EINECS 211-081-9NSC158516UNII-8A6HE775UWSCHEMBL810371SCHEMBL2126644SCHEMBL9189691
Database identifiers
- CAS
629-23-2- PubChem CID
- 69418
- DTXSID
DTXSID30212073- UNII
- 8A6HE775UW
- EC Number
- 211-081-9
- Nikkaji
- J47.240I
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
Physical DescriptionMelting point = 34 deg C; [ChemIDplus] Solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 34 °C · 34 °C
- Boiling point
- 152 °C · 152 °C / 16mmHg
- Density
- 0.8256 · 0.8256 (estimate)
- refractive index
- 1.4392 · 1.4392 (estimate)
- Flash point
- 66 °C · 66 °C
- form
- powder to lump
- color
- White to Light yellow
- LogP
- 5.563 · 5.563 (est)
- CAS DataBase Reference
- 629 · 629-23-2
- FDA UNII
- 8 A6HE775UW · 8A6HE775UW
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2914.19.0000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P403+P235-P501
Chemistry & industry
Suppliers22 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
石家庄琪跃化工有限公司15369111890 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [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029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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