Basic information
- CAS
40560-30-3- Standard SMILES
CC[C@@H](C)Cc1ccccc1- InChIKey
IFDLFCDWOFLKEB-SNVBAGLBSA-N- Molecular formula
- C11H16
- Average molar mass
- 148.24 g/mol
- Monoisotopic mass
- 148.12520051
Names & identifiers
- Preferred name
- Benzene, ((2S)-2-methylbutyl)-
- IUPAC
- [(2R)-2-methylbutyl]benzene
- English name
- (S)-(+)-2-Benzylbutane.
- Molecular formula
- C11H16
- Molecular weight
- 148.24
Names & synonyms
[(2R)-2-methylbutyl]benzeneBenzene, ((2S)-2-methylbutyl)-40560-30-3(S)-(+)-2-Benzylbutane.[(2S)-2-Methylbutyl]benzeneBenzene, [(2S)-2-methylbutyl]-(+)-(2-Methylbutyl)benzene,99%(S)-(+)-(2-METHYLBUTYL)BENZENE
Database identifiers
- CAS
40560-30-3- PubChem CID
- 3084792
- EC Number
- 693-038-8
- Nikkaji
- J63.277E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 90.2
Physicochemical properties
- Boiling point
- 197.3 · 197.3±7.0 °C(Predicted)
- Density
- 0.861 · 0.861±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 S)-2-methylbutyl]- · Benzene, [(2S)-2-methylbutyl]- (40560-30-3)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, [(2S)-2-methylbutyl]-: INACTIVE
Suppliers6 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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