Basic information
- CAS
6853-57-2- Standard SMILES
CCCCCc1ccc(C=O)cc1- InChIKey
NQVZPRUSNWNSQH-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- Benzaldehyde, 4-pentyl-
- IUPAC
- 4-pentylbenzaldehyde
- English name
- 4-n-Pentylbenzaldehyde
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
6853-57-2Benzaldehyde, 4-pentyl-DTXSID2064494RefChem:561383DTXCID20460924-PENTYLBENZALDEHYDE4-N-Pentylbenzaldehydep-PentylbenzaldehydeMFCD00043599p-AMYLBENZALDEHYDE4-n-Amylbenzaldehydep-n-pentylbenzaldehyde
Show more names
4-amylbenzaldehydeTIMTEC-BB SBB0083644-N-PENTYLBENZALDEHYDE / 4-N-AMYLBENZALDEHYDE
p-n-pentylben-zaldehyde4-Pentylbenzaldehyde #p-Pentylbenzaldehyde, iSCHEMBL847304SCHEMBL2118970BDBM856544-Pentylbenzaldehyde, AldrichCPRSBB008364
Database identifiers
- CAS
6853-57-2- PubChem CID
- 23290
- DTXSID
DTXSID2064494- Nikkaji
- J30.752A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Melting point
- 215 °C · 215 °C
- Boiling point
- 142 · 142-144°C 2mm
- Density
- 0.96 · 0.960±0.06 g/cm3(Predicted)
- refractive index
- 1.5215 · 1.5215
- Flash point
- 142 · 142-144°C/2mm
- Sensitive
- Air Sensitive
- BRN
- 1869642 · 1869642
- CAS DataBase Reference
- 6853 · 6853-57-2(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-pentyl- (6853-57-2)
- Safety Statements
- 24 · 24/25
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- safety_code
- 24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 4-pentyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers23 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
南京皇泰医药科技有限公司025-58803135 18551845925 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
13 records
Compound notes
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