Basic information
- CAS
4384-07-0- Standard SMILES
CC(C)CCC(C(=O)O)C(C)C- InChIKey
ZOINHQMIOAPOSQ-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 2-Isopropyl-5-methylhexanoic acid
- IUPAC
- 5-methyl-2-propan-2-ylhexanoic acid
- English name
- 2-Isopropyl-5-methylhexanoic acid
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
2-Isopropyl-5-methylhexanoic acidRefChem:473906696-067-44384-07-05-methyl-2-propan-2-ylhexanoic acid5-Methyl-2-(propan-2-yl)hexanoic acid2-Isopropyl-5-methyl-hexanoic acidalpha,gamma-Diisopropylbutyric acid2,4-Di-isopropylbuttersaeure [German]BRN 17579722,4-Di-isopropylbuttersaeure3-Heptanecarboxylic acid, 2,6-dimethyl-
Show more names
2-(1'-Methylpropylcapronsaeure) [German]HEXANOIC ACID, 2-ISOPROPYL-5-METHYL-2-(1'-Methylpropylcapronsaeure)Hexanoic acid, 5-methyl-2-(1-methylethyl)-4-02-00-01067 (Beilstein Handbook Reference)SCHEMBL1572883DTXSID30873143BS-52892
Database identifiers
- CAS
4384-07-0- PubChem CID
- 20404
- DTXSID
DTXSID30873143- EC Number
- 696-067-4
- Nikkaji
- J73.718F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers7 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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