Basic information
- CAS
614-57-3- Standard SMILES
O=C(C=CC=Cc1ccccc1)c1ccccc1- InChIKey
QONKLJMPKWQQFG-UHFFFAOYSA-N- Molecular formula
- C17H14O
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.10446507
Names & identifiers
- Preferred name
- 1,5-Diphenyl-2,4-pentadien-1-one
- IUPAC
- 1,5-diphenylpenta-2,4-dien-1-one
- English name
- Cinnamylideneacetophenone
- Molecular formula
- C17H14O
- Molecular weight
- 234.29
Names & synonyms
614-57-3DTXSID3013020421,5-Diphenyl-2,4-pentadien-1-oneRefChem:1053458DTXCID5017321161,5-diphenylpenta-2,4-dien-1-oneCinnamal-acetophenon(2E,4E)-1,5-diphenyl-1-penta-2,4-dienoneSCHEMBL1614247NCI60_003862DB-026493NS00041693
Show more names
cinnamalacetophenoneCinnamylideneacetophenoneA-CINNAMYLIDENEACETOPHENONE5-phenyl-4-pentadienophenone5-phenylpenta-2,4-dienophenone1,5-diphenyl-4-pentadien-1-one5-phenyl-2,4-pentadienophenonealpha-CinnamylideneacetophenoneCinnamylideneacetophenone, 98+%
G77449
Database identifiers
- CAS
614-57-3- PubChem CID
- 95327
- DTXSID
DTXSID301302042- EC Number
- 210-385-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 100 · 100-102°C
- Boiling point
- 388.1 · 388.1±25.0 °C(Predicted)
- Density
- 1.0608 g/cm3 · 1.0608 g/cm3
- BRN
- 1870052 · 1870052
- CAS DataBase Reference
- 614 · 614-57-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RTECS
- 2477000 · RZ2477000
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 (90.7%): 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)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (90.7%)
Safety data
- rtecs
- RZ2477000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
DescriptionColorless. viscous liquid. B.P. 239℃. Sp,Gr. 0.895. The aldehyde is conventionally sold in reduced strength, either 50% or 70% aldehyde content. The diluent may be the corresponding acetal, or an odorless solvent, e. g. Diethyl - phthalate.
UsesCinnamylideneacetophenone is used in perfume compositions as a floralizing aldehydic topnote ingredient, primariIy in Muguet-Lily fragrances, but also in Rose, Peony (where the Geranyl-isomer is claimed to lx superior), and various modifications of modern-aldehydic fragrance types. Occasionally used in flavor compositions for floral or fruity types, and in Rose type flavors. The concentration is usually mere traces in the finished product.
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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