1,2,3,4-Tetrahydro-2-naphthoic acid (HCID 101370)

Names & identifiers

Preferred name: 1,2,3,4-Tetrahydro-2-naphthoic acid
IUPAC: 1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
English name: 1,2,3,4-Tetrahydro-2-naphthoic acid
Molecular formula: C11H12O2
Molecular weight: 176.21

Names & synonyms

1,2,3,4-Tetrahydro-2-naphthoic acid53440-12-3EINECS 258-553-02-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-Tetrahydro-.beta.-naphthoic acidNSC 4086081,2,3,4-Tetrahydro-.beta.-naphthoic acidRefChem:71305Tetrahydro-beta-naphthoic acid1,2,3,4-Tetrahydro-beta-naphthoic acid258-553-0NTAGXJQHJQUOOA-UHFFFAOYSA-N

Show more names

Aminolevulinic Acid Impurity 82-Carboxy-1,2,3,4-tetrahydronaphthalene1,2,3,4-Tetrahydro-2-naphthoic acid 98%1,2,3,4-Tetrahydro-2-naphthoic acid,98%(2R)-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

1,2,3,4-tetrahydronaphthalene-2-carboxylic acidTetralin-2-carboxylic acid1,2,3,4-Tetrahydro-2-naphthalenecarboxylic acidMFCD000017411,2,3,4-tetrahydro-naphthalene-2-carboxylic acidNSC408608SCHEMBL367535orb3031527

Database identifiers

CAS: 53440-12-3
PubChem CID: 101370
DTXSID: DTXSID10871425
EC Number: 258-553-0
Nikkaji: J267.348G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 200

Physicochemical properties

Melting point: 93 · 93-96 °C (lit.)
Boiling point: 267.83 °C · 267.83°C (rough estimate)
Density: 1.0558 · 1.0558 (rough estimate)
refractive index: 1.5425 · 1.5425 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: liquid
pka: 4.57 · 4.57±0.20(Predicted)
Appearance: White to off-white Solid
BRN: 2050435 · 2050435
InChI: InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,12,13)
InChIKey: NTAGXJQHJQUOOA-UHFFFAOYSA-N
SMILES: C1C2=C(C=CC=C2)CCC1C(O)=O
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2916399090 · 2916399090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2916399090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1,2,3,4-Tetrahydro-2-naphthoic Acid is used as a reagent in organic synthesis of several compounds including that of N-acyl-5-methyl-3(2H)-isoxazolone derivatives which show high potential as fungicides.