2,5-Xylyloxyacetic acid

HCID 81817CAS 7356-41-4
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(C)c(OCC(=O)O)c1
InChIKey
RSJMMLSDGNQOEO-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Names & identifiers

Preferred name
2,5-Xylyloxyacetic acid
IUPAC
2-(2,5-dimethylphenoxy)acetic acid
English name
2,5-DIMETHYLPHENOXYACETIC ACID
Molecular formula
C10H12O3
Molecular weight
180.2

Names & synonyms

2,5-Xylyloxyacetic acidAI3-16548EINECS 230-887-1Acetic acid, (2,5-dimethylphenoxy)-DTXSID90223761NSC 48915NSC 62096RefChem:445125DTXCID20146252230-887-17356-41-42,5-Dimethylphenoxyacetic Acid
Show more names
NSC48915NSC62096SBB015435ARONIS000665AN-329/41081002
2-(2,5-dimethylphenoxy)acetic acid(2,5-dimethylphenoxy)acetic acidMFCD00014356LABOTEST-BB LT00454423(2,5-xylyloxy)acetic acidNCIOpen2_003692AKOS BBB/222AKOS BC-2697

Database identifiers

CAS
7356-41-4
PubChem CID
81817
DTXSID
DTXSID90223761
ChEMBL
CHEMBL174985
EC Number
230-887-1
Nikkaji
J212.355J

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Melting point
114 · 114-116°C
BRN
2263621 · 2263621
CAS DataBase Reference
7356 · 7356-41-4(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Danger
Hazard statements
315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (90.5%)

Safety data

hs_code
2918999090
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Suppliers38 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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