Basic information
- CAS
598-01-6- Standard SMILES
CCCC(C)(O)CCC- InChIKey
IQXKGRKRIRMQCQ-UHFFFAOYSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Names & identifiers
- Preferred name
- 4-Methyl-4-heptanol
- IUPAC
- 4-methylheptan-4-ol
- English name
- 4-Methyl-4-heptanol
- Molecular formula
- C8H18O
- Molecular weight
- 130.23
Names & synonyms
4-Methyl-4-heptanol4-Heptanol, 4-methyl-4-Hydroxy-4-methylheptaneDTXSID60208525NSC 71544RefChem:99791DTXCID10131016620-952-6IQXKGRKRIRMQCQ-UHFFFAOYSA-N598-01-64-methylheptan-4-olMFCD00021840
Show more names
4-methyl-4-heptylol4-Methyl-4-heptanol>METHYLDIPROPYLCARBINOL4-METHYL-4-HEPTANOL 98+%METHYLDI-N-PROPYLCARBINOL
NSC-71544NSC715444-methyl-heptan-4-olNCIOpen2_000458SCHEMBL308585SCHEMBL497380SCHEMBL3167408UY4L629D4F
Database identifiers
- CAS
598-01-6- PubChem CID
- 136394
- DTXSID
DTXSID60208525- UNII
- UY4L629D4F
- EC Number
- 620-952-6
- Nikkaji
- J100.386K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 63
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -82 °C · -82°C
- Boiling point
- 62 °C · 62 °C / 12mmHg
- Density
- 0.83 · 0.83
- refractive index
- 1.425 to · 1.4250 to 1.4270
- Flash point
- 52 °C · 52°C(lit.)
- storage temp.
- Store at room temperature
- pka
- 15.38 · 15.38±0.29(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 4.5 · 4.5×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997)
- Dielectric constant
- 2.87 · 2.8700000000000001
- LogP
- 2.622 · 2.622 (est)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- RIDADR
- 1987 · UN 1987 3/PG III
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 2905190098 · 2905190098
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
Danger
H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (97.5%)
Safety data
- ridadr
- UN 1987 3/PG III
- hs_code
- 2905190098
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers25 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [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+86-29-81139210 +86-17392587031 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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