Basic information
- CAS
35615-98-6- Standard SMILES
COC(=O)c1ccc(C)c2ccccc12- InChIKey
LPLYJJXZWSVXHW-UHFFFAOYSA-N- Molecular formula
- C13H12O2
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.08372962
Names & identifiers
- Preferred name
- Methyl 4-methylnaphthalene-1-carboxylate
- IUPAC
- methyl 4-methylnaphthalene-1-carboxylate
- English name
- methyl 4-methyl-1-naphthoate
- Molecular formula
- C13H12O2
- Molecular weight
- 200.23
Names & synonyms
35615-98-6Methyl 4-methylnaphthalene-1-carboxylateDTXSID70620991RefChem:355795DTXCID00571745965-340-2METHYL 4-METHYL-1-NAPHTHOATESCHEMBL8705741-Naphthalenecarboxylic acid, 4-methyl-, methyl esterSCHEMBL29197362LPLYJJXZWSVXHW-UHFFFAOYSA-NKBA61598
Show more names
4-Methyl-naphthalene-1-carboxylic acid methyl ester
MFCD06203861AKOS0001143261-methyl-4-naphthoic acid methyl estermethyl 4-methyl-1-naphthalenecarboxylateDA-32438Methyl 4-methyl-1-naphthalene CarboxylateEN300-1725518F333692
Database identifiers
- CAS
35615-98-6- PubChem CID
- 21973653
- DTXSID
DTXSID70620991- EC Number
- 965-340-2
- Nikkaji
- J2.497.525H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 323.7 · 323.7±11.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
山东诚创蓝海医药科技有限公司0531-58897130 15508676053 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
11 records
Compound notes
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