Basic information
- CAS
929-48-6- Standard SMILES
O=CCCCCCCC(=O)O- InChIKey
UEXYJHLCLUYOFA-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- 7-Formylheptanoic acid
- IUPAC
- 8-oxooctanoic acid
- English name
- 7-formylheptanoic acid
- Molecular formula
- C8H14O3
- Molecular weight
- 158.2
Names & synonyms
8-Oxooctanoic acid7-Formylheptanoic acidOctanoic acid, 8-oxo-8-oxo-octanoic acidEINECS 213-199-6DTXSID30239189RefChem:106099DTXCID00161680213-199-6929-48-6MFCD206382398-Oxooctanoicacid
Show more names
Suberaldehydic acidSCHEMBL274867SCHEMBL6539108AAA92948LMFA01060212AKOS037649293HY-W612387BS-17862
Database identifiers
- CAS
929-48-6- PubChem CID
- 70246
- DTXSID
DTXSID30239189- EC Number
- 213-199-6
- Nikkaji
- J298.506C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Oxo fatty acids [FA0106]
Physicochemical properties
- Melting point
- 38 °C · 38 °C
- Boiling point
- 140 · 140-146 °C(Press: 0.2 Torr)
- Density
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 4.77 · 4.77±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses7-Formylheptanoic Acid, is a fatty acid with keto.
Upstream & downstream products
Downstream products
Suppliers20 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
南京玛奇朵医药科技有限公司19556085883 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
Related reactions
1 records
Compound notes
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