Basic information
- CAS
15869-95-1- Standard SMILES
CCCCC(C)(C)CCC- InChIKey
ZMEDGZAGMLTROM-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- Octane, 4,4-dimethyl-
- IUPAC
- 4,4-dimethyloctane
- English name
- 4,4-Dimethyloctane
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
4,4-Dimethyloctane15869-95-14,4-Dimethyl octaneOctane, 4,4-dimethyl-DTXSID80166496RefChem:167783DTXCID8088987679-706-1InChI=1/C10H22/c1-5-7-9-10(3,4)8-6-2/h5-9H2,1-4HZMEDGZAGMLTROM-UHFFFAOYSA-NMFCD000488134,4-dimethyl-octane
Show more names
4,4-Dimethyloctane>4,4-Dimethyloctane in isooctane
SCHEMBL598961SCHEMBL1972634SCHEMBL1973892SCHEMBL5986388SCHEMBL10474452SCHEMBL16774630SCHEMBL27450750SCHEMBL28800604
Database identifiers
- CAS
15869-95-1- PubChem CID
- 85151
- DTXSID
DTXSID80166496- EC Number
- 679-706-1
- Nikkaji
- J147.948B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 72.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -53.99 °C · -53.99°C
- Boiling point
- 161 °C · 161°C
- Density
- 0 · 0,74 g/cm3
- refractive index
- 1.414 · 1.4140-1.4150
- Flash point
- 161 °C · 161°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Water Solubility
- 2.2 mg/L · 2.2mg/L(20 ºC)
- Henry's Law Constant
- 1 · 1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- CAS DataBase Reference
- 15869 · 15869-95-1(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335-H226-H304
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501-P261-P305+P351+P338-P501a
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3295 · 3295
- HS Code
- 2901.1 · 2901.10.5000
- HazardClass
- 3 · 3
- PackingGroup
- III
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 3295
- hs_code
- 2901.10.5000
- risk_code
- 10-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS07
- safety_code
- 26-36
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H315-H319-H335-H226-H304
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501-P261-P305+P351+P338-P501a
Chemistry & industry
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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