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5-Isobutylcyclohexane-1,3-dione

HCID 2736673
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
57641-95-9
Standard SMILES
CC(C)CC1CC(=O)CC(=O)C1
InChIKey
LQNQODXUTPLCGH-UHFFFAOYSA-N
Molecular formula
C10H16O2
Average molar mass
168.236 g/mol
Monoisotopic mass
168.11502975

Names & identifiers

Preferred name
5-Isobutylcyclohexane-1,3-dione
IUPAC
5-(2-Methylpropyl)cyclohexane-1,3-dione
English name
5-Isobutylcyclohexane-1,3-dione
Molecular formula
C10H16O2
Molecular weight
168.23

Names & synonyms

5-Isobutylcyclohexane-1,3-dione5-Isobutylcyclohexane-1,3-dione98%1,3-Cyclohexanedione, 5-(2-methylpropyl)-5-(2-Methylprop-1-yl)cyclohexane-1,3-dione, 1,3-Dioxo-5-isobutylcyclohexane

Database identifiers

CAS
57641-95-9
PubChem CID
2736673
DTXSID
DTXSID90371519
EC Number
672-260-9

Properties

Physicochemical properties

Melting point
125 · 125-129°C
form
powder
color
White
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319-H335-H315
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes
Xi
Risk Statements
36 · 36/37/38-36
Safety Statements
26 · 26-36/37/39
Hazard Note
Irritant
HS Code
2914290090 · 2914290090

Safety & regulation

Safety data

hs_code
2914290090
risk_code
36/37/38-36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
safety_code
26-36/37/39
Hazard statements
H319-H335-H315
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers6 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]

Related reactions

3 records
New reaction record
HRID 839038 reaction equation
HRID 839038As reactantuspto-grants-1978_06
HRID 1227817 reaction equation
HRID 1227817As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1973765 reaction equation
HRID 1973765As reactantuspto-grants-1976_12

Compound notes

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