2-Methoxy-5-methylphenol

HCID 14519
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Basic information

CAS
1195-09-1
Standard SMILES
COc1ccc(C)cc1O
InChIKey
IFNDEOYXGHGERA-UHFFFAOYSA-N
Molecular formula
C8H10O2
Average molar mass
138.16 g/mol
Monoisotopic mass
138.06807956

Names & identifiers

Preferred name
2-Methoxy-5-methylphenol
IUPAC
2-methoxy-5-methylphenol
English name
2-METHOXY-5-METHYLPHENOL
Molecular formula
C8H10O2
Molecular weight
138.16

Names & synonyms

2-Methoxy-5-methylphenolIsocreosol5-MethylguaiacolPhenol, 2-methoxy-5-methyl-6-Methoxy-m-cresol2-Hydroxy-4-methylanisolem-CRESOL, 6-METHOXY-5-methyl-2-methoxyphenol3-hydroxy-4-methoxytolueneBRN 1817644EINECS 214-791-7UNII-AV5V76OU33
Show more names
ISOCREOSOLE6-methoxy-m-creso5-METHYL-GUAIACOLTIMTEC-BB SBB008267
AV5V76OU33IFNDEOYXGHGERA-UHFFFAOYSA-DTXSID701524694-06-00-05879 (Beilstein Handbook Reference)3-HYDROXY-4-METHOXY-1-METHYLBENZENERefChem:87853DTXCID6074960IFNDEOYXGHGERA-UHFFFAOYSA-N

Database identifiers

CAS
1195-09-1
PubChem CID
14519
DTXSID
DTXSID70152469
ChEBI
CHEBI:194904
UNII
AV5V76OU33
EC Number
214-791-7
Nikkaji
J45.658F

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1201.7；1177；1191；1194.4

1789

Physicochemical properties

Melting point
37 °C · 37 °C
Boiling point
115 °C · 115 °C
Density
1.0742 g/cm3 · 1.0742 g/cm3(Temp: 38.60001953125 °C)
refractive index
1.534 · 1.534
Flash point
115 · 115-117°C/20mm
storage temp.
2 · 2-8°C(protect from light)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (87.5%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (75%)

Safety data

rtecs
GP1770000
ridadr
2811
hs_code
2914500090
risk_code
36/37/38-41-22
Signal word
Warning
Symbol(GHS)
GHS07,GHS06

Chemistry & industry

Applications

UsesIt is employed as a intermediate for pharmaceutical.

Upstream & downstream products

Suppliers95 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Additional notes

DefinitionChEBI: 2-Methoxy-5-methylphenol is a member of methoxybenzenes and a member of phenols.

Related reactions

9 records
New reaction record

Compound notes

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CAS 1195-09-1 2-Methoxy-5-methylphenol (HCID 14519)｜Huagongshe