Basic information
- CAS
7091-14-7- Standard SMILES
CCCCCOc1ccccc1C=O- InChIKey
KPLIYWNHNIPFQR-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 2-(Pentyloxy)benzaldehyde
- IUPAC
- 2-pentoxybenzaldehyde
- English name
- AKOS B014088
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
2-(pentyloxy)benzaldehyde7091-14-72-pentoxybenzaldehydeMFCD004519492-n-Pentoxybenzaldehyde2-Pentyloxy-benzaldehydeAKOS B014088NSC69104pentyloxy benzaldehydeBenzaldehyde, 2-(pentyloxy)-SCHEMBL2244225SCHEMBL4947216
Show more names
2-amoxybenzaldehydeART-CHEM-BB B014088
DTXSID60290521ALBB-001194BBL037553NSC-69104STK502425AKOS000249487VS-14257CS-0313431
Database identifiers
- CAS
7091-14-7- PubChem CID
- 250100
- DTXSID
DTXSID60290521
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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