11-Phenylundecanoic acid

HCID 76863CAS 3343-24-6
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CCCCCCCCCCc1ccccc1
InChIKey
AUQIXRHHSITZFM-UHFFFAOYSA-N
Molecular formula
C17H26O2
Average molar mass
262.4 g/mol
Monoisotopic mass
262.19328007

Overview

11-Phenylundecanoic acid has been reported in Trichilia claussenii with data available.

Names & identifiers

Preferred name
11-Phenylundecanoic acid
IUPAC
11-phenylundecanoic acid
English name
Phenylundecanoic acid
Molecular formula
C17H26O2
Molecular weight
262.39

Names & synonyms

11-Phenylundecanoic acidBenzeneundecanoic acid3343-24-6Undecanoic acid, phenyl-EINECS 222-087-6DTXSID70955058EINECS 256-718-1RefChem:437276DTXCID301383062222-087-6Phenylundecanoic acidBenzeneundecanoicacid
Show more names
Phenylundecanoic acid, mixed isomers, 98%Phenylundecanoic acid, mixture of isomersPhenylundecanoic acid, mixture of isomers,99%
MFCD0005131550696-68-911-Phenylundecanoic acid #SCHEMBL770290SCHEMBL2518011SCHEMBL10906647LMFA01140028SBB072712

Database identifiers

CAS
3343-24-6、50696-68-9
PubChem CID
76863
DTXSID
DTXSID70955058
EC Number
222-087-6、256-718-1
Nikkaji
J205.427B

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
11
Heavy atoms
19

Experimental & physicochemical properties

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Carbocyclic fatty acids [FA0114]

Physicochemical properties

Melting point
19 · 19-20 °C
Boiling point
365.64 °C · 365.64°C (rough estimate)
Density
0.9879 · 0.9879 (rough estimate)
refractive index
1.5 · 1.5000 (estimate)
storage temp.
Inert atmosphere,Room Temperature
pka
4.78 · 4.78±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, 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. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H413-H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationUndecanoic acid, phenyl-: INACTIVE

Upstream & downstream products

Suppliers23 total

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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