Basic information
- CAS
26516-28-9- Standard SMILES
CC1(C(=O)O)CCCc2ccccc21- InChIKey
GKAFAFBEKXKBLN-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 1-Methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
- IUPAC
- 1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
- English name
- 1-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic Acid
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
1-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid26516-28-9RefChem:433647830-503-81-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic AcidSCHEMBL4851505BBA51628AKOS008152525CS-0253427EN300-64333G447261-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylicacid
Show more names
1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-
Z234897187
Database identifiers
- CAS
26516-28-9- PubChem CID
- 10954341
- EC Number
- 830-503-8
- Nikkaji
- J1.334.954A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 331.8 · 331.8±21.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- pka
- 4.33 · 4.33±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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