Basic information
- CAS
14392-72-4- Standard SMILES
CCCCCCC(=O)c1ccc(O)cc1- InChIKey
MAZPQHJYGKZQEA-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067982
Names & identifiers
- Preferred name
- 4'-Hydroxyheptanophenone
- IUPAC
- 1-(4-hydroxyphenyl)heptan-1-one
- English name
- 4-Hydroxyheptanophenone
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
4'-Hydroxyheptanophenone14392-72-4DTXSID40342072RefChem:506147DTXCID00293152679-992-81-(4-hydroxyphenyl)heptan-1-one4'-Hydroxy-N-Heptanophenone1-Heptanone, 1-(4-hydroxyphenyl)-4-HydroxyheptanophenoneMFCD00191523p-hydroxyheptanophenone
Show more names
P-heptanone4'-Hydroxyheptanone4-Hydroxyheptanophen4'-Hydroxyheptanophenone>HEXYL 4-HYDROXYPHENYL KETONE
4`-HydroxyheptanophenoneCHEMBL213954SCHEMBL1751770BDBM50189958AC-11539CS-01523081-(4-Hydroxyphenyl)-1-heptanone, AldrichCPR4-Heptanoylphenol
Database identifiers
- CAS
14392-72-4- PubChem CID
- 578426
- DTXSID
DTXSID40342072- ChEMBL
CHEMBL213954- EC Number
- 679-992-8
- Nikkaji
- J307.652K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 93 °C · 93°C
- Boiling point
- 220 °C · 220°C 15mm
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 8.18 · 8.18±0.15(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3
- InChIKey
- MAZPQHJYGKZQEA-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(O)C=C1)(=O)CCCCCC
- CAS DataBase Reference
- 14392 · 14392-72-4(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07, GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H411
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
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 CategoriesAcute Tox. 4 (97.5%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 2914.50.3000
- risk_code
- 36/37/38-51/53-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07, GHS09
- hazard_code
- Xi,N,Xn
- safety_code
- 26-36/37/39-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319-H411
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2
- Precautionary statements
- P273-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers99 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
1 records
Compound notes
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