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Linalyl anthranilate

CAT: 0286-L03340-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-L03340-01Size:25 g
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CAS Number
7149-26-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00047836
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Linalyl anthranilate

Linalyl anthranilate is an arene and a terpene.

CAS Number7149-26-0
PubChem CID23535
IUPAC Name3,7-dimethylocta-1,6-dien-3-yl 2-aminobenzoate
Molecular FormulaC17H23NO2
Molecular Weight273.37
XLogP4.8
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity371
SMILES
CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N)C
InChI
InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3
InChIKey
WHIJSULEEDNKPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Linalyl anthranilate
CAS: 7149-26-0
CID: 23535
Formula: C17H23NO2
MW: 273.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.37
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass273.172878976
Monoisotopic Mass273.172878976
Topological Polar Surface Area52.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
AR-A06656-01Linalyl Anthranilate
MBS5756405Linalyl cinnamate
M21216-01Linalyl Acetate
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HY-N6948SLinalyl acetate-d6
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HY-W472451-01Linalyl isobutyrate

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