Basic information
- CAS
72928-02-0- Standard SMILES
CCCc1ccc(OC(=O)c2ccc(C3CCC(CCC)CC3)cc2)cc1- InChIKey
TVAPGSSMRUFIFN-XUTJKUGGSA-N- Molecular formula
- C25H32O2
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.24023026
Overview
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Names & identifiers
- Preferred name
- 4-Propylphenyl trans-4-(4-propylcyclohexyl)benzoate
- IUPAC
- (4-propylphenyl) 4-(4-propylcyclohexyl)benzoate
- English name
- 4-propylphenyl trans-4-(4-propylcyclohexyl)benzoate
- Molecular formula
- C25H32O2
- Molecular weight
- 364.52
Names & synonyms
4-Propylphenyl trans-4-(4-propylcyclohexyl)benzoateRefChem:526593277-043-972928-02-04-Propylphenyl 4-(trans-4-propylcyclohexyl)benzoate(4-propylphenyl) 4-(4-propylcyclohexyl)benzoate4-PROPYLPHENYL 4-(TRANS-4-PROPYLCYCLOHEXYL)-BENZOATEBenzoic acid, 4-(trans-4-propylcyclohexyl)-, 4-propylphenyl esterMFCD019410254-Propylphenyl 4-((1s,4r)-4-propylcyclohexyl)benzoate4-PROPYLPHENYL 4-[(1S,4R)-4-PROPYLCYCLOHEXYL]BENZOATEEINECS 277-043-9
Show more names
4-Propylphenyl 4-(trans-4-propylcyclohexyl)4-PROPYLPHENYL 4-(4-PROPYLCYCLOHEXYL)BENZOATE4-Propylphenyl-4'-Trans-PropylcyclohexylBenzoate4-propylphenyl trans-4-(4-propylphenylcyclohexyl)benzoate4-n-Propylphenyl trans-4-(4-n-propylcyclohexyl)benzoate, 98%trans-4-(4-Propylcyclohexyl)benzoic acid 4-propylphenyl ester4-(4β-Propylcyclohexan-1α-yl)benzoic acid 4-propylphenyl ester
SCHEMBL9457253SCHEMBL94572554-n-Propylphenyl trans-4-(4-n-propylcyclohexyl)benzoateDTXSID40888208TVAPGSSMRUFIFN-UHFFFAOYSA-NTVAPGSSMRUFIFN-XUTJKUGGSA-NAKOS016014113DS-6475
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 491.145 · 491.145±34.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.019 · 1.019
- storage temp.
- Sealed in dry,Room Temperature
- CAS DataBase Reference
- 72928 · 72928-02-0
- EPA Substance Registry System
- 4 · Benzoic acid, 4-(trans-4-propylcyclohexyl)-, 4-propylphenyl ester (72928-02-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(trans-4-propylcyclohexyl)-, 4-propylphenyl ester: ACTIVE
Applications
UsesIntermediates of Liquid Crystals
Suppliers11 total
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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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