Basic information
- CAS
49763-66-8- Standard SMILES
CCCCCCCCc1ccc(C=O)cc1- InChIKey
IHKVZPVHTKOSLW-UHFFFAOYSA-N- Molecular formula
- C15H22O
- Average molar mass
- 218.33 g/mol
- Monoisotopic mass
- 218.16706532
Names & identifiers
- Preferred name
- Benzaldehyde, 4-octyl-
- IUPAC
- 4-octylbenzaldehyde
- English name
- 4-n-Octylbenzaldehyde
- Molecular formula
- C15H22O
- Molecular weight
- 218.33
Names & synonyms
4-octylbenzaldehyde49763-66-8Benzaldehyde, 4-octyl-DTXSID0068521RefChem:561381DTXCID20407374-N-OCTYLBENZALDEHYDEMFCD00041872p-octylbenzaldehydeparaoctylbenzaldehydep-n-octylbenzaldehydepara-octylbenzaldehyde
Show more names
4-octyl-benzaldehydTIMTEC-BB SBB008543N-OCTYLBENZALDEHYDE4-n-Octylbenzaldeyhyde4-Octylbenzaldehyde,97%4-Octylbenzaldehyde,99%
p-Octylbenzaldehyde, lSCHEMBL177373SCHEMBL2119416BDBM85657SBB008543AKOS015960335FO69989AC-10355
Database identifiers
- CAS
49763-66-8- PubChem CID
- 2734685
- DTXSID
DTXSID0068521- EC Number
- 803-911-9
- Nikkaji
- J30.750E
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- -6 ℃ · -6℃
- Boiling point
- 131 · 131-132℃ (3 Torr)
- Density
- 0.9445 · 0.9445 (rough estimate)
- refractive index
- 1.51 · 1.51-1.513
- form
- Liquid
- color
- Clear yellow
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-octyl- (49763-66-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 24 · 24/25-36/37
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29122900 · 29122900
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29122900
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36/37
- Hazard statements
- H317
- Precautionary statements
- P280
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 4-octyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [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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