Basic information
- CAS
31576-33-7- Standard SMILES
CC(=O)CCOCC(C)C- InChIKey
VDVQAHFUWSAGRT-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 4-Isobutoxy-2-butanone
- IUPAC
- 4-(2-methylpropoxy)butan-2-one
- English name
- 4-Isobutoxy-2-butanone
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
4-Isobutoxy-2-butanone31576-33-7DTXSID60336998RefChem:524280DTXCID80288086608-641-34-(2-methylpropoxy)butan-2-one4-isobutoxybutan-2-oneMFCD00059348SCHEMBL8379954VDVQAHFUWSAGRT-UHFFFAOYSA-VDVQAHFUWSAGRT-UHFFFAOYSA-N
Show more names
Isobutoxybutanone4-Isobutoxy-2-butanone>4-ISOBUTOXY-2-BUTANONE 95+%2-Butanone, 4-(2-methylpropoxy)-
AKOS009157931SY054681CS-0450930I0286D91117InChI=1/C8H16O2/c1-7(2)6-10-5-4-8(3)9/h7H,4-6H2,1-3H3
Database identifiers
- CAS
31576-33-7- PubChem CID
- 537792
- DTXSID
DTXSID60336998- EC Number
- 608-641-3
- Nikkaji
- J148.029D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.4
Physicochemical properties
- Boiling point
- 181 °C · 181°C
- Density
- 0 · 0,88 g/cm3
- refractive index
- 1.411 to · 1.4110 to 1.4150
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2914500090 · 2914500090
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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
- hs_code
- 2914500090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 26-36/37/39
- Hazard statements
- H226
Chemistry & industry
Suppliers17 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[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]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
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025-58851090 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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