Basic information
- CAS
38675-79-5- Standard SMILES
CC(C)(C)c1ccc(C(=O)C2CC2)cc1- InChIKey
XVDLXILLBPXUPJ-UHFFFAOYSA-N- Molecular formula
- C14H18O
- Average molar mass
- 202.29 g/mol
- Monoisotopic mass
- 202.13576519
Names & identifiers
- Preferred name
- 4-tert-Butylphenyl cyclopropyl ketone
- IUPAC
- (4-tert-butylphenyl)-cyclopropylmethanone
- English name
- 4-tert-Butylphenyl cyclopropyl ketone
- Molecular formula
- C14H18O
- Molecular weight
- 202.29
Names & synonyms
38675-79-54-tert-Butylphenyl cyclopropyl ketone(4-tert-butylphenyl)(cyclopropyl)methanone(4-tert-butylphenyl)-cyclopropylmethanoneCyclopropyl[4-(1,1-dimethylethyl)phenyl]methanone8VQU2D372EEINECS 254-078-8NSC-163106DTXSID90191971Methanone, cyclopropyl(4-(1,1-dimethylethyl)phenyl)-NSC 163106P-TERT-BUTYLPHENYL CYCLOPROPYL KETONE
Show more names
TIMTEC-BB SBB0057734-tert-Butylphenyl cCyclopropyl 4-tert-butylphenyl ketone4-tert-Butylphenyl cyclopropyl ketone,98%CYCLOPROPYL 4-(1,1-DIMETHYLETHYL)PHENYL-METHANONEMethanone, cyclopropyl[4-(1,1-dimethylethyl)phenyl]-N-(7-amino-2H-triazolo[4,5-b]pyridin-5-yl)carbamic acid ethyl ester
KETONE, P-TERT-BUTYLPHENYL CYCLOPROPYLCYCLOPROPYL(4-(1,1-DIMETHYLETHYL)PHENYL)METHANONERefChem:100523DTXCID30114462254-078-8(4-(tert-Butyl)phenyl)(cyclopropyl)methanone[4-(tert-Butyl)phenyl](cyclopropyl)methanoneMLS003106552
Database identifiers
- CAS
38675-79-5- PubChem CID
- 98737
- DTXSID
DTXSID90191971- ChEMBL
CHEMBL2138066- UNII
- 8VQU2D372E
- EC Number
- 254-078-8
- Nikkaji
- J319.825A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 56 · 56-60 °C
- Boiling point
- 303.6 · 303.6±21.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- FDA UNII
- 8 VQU2D372E · 8VQU2D372E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
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, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers18 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉威顺达科技发展有限公司86-027-88774375 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
河北博新生物科技有限公司19131160546 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
重庆卡兰医药有限公司[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]
四川山冈生物医药科技有限公司13990000934,13076045191 13990000934 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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