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Estragole 98%

CAT: 0286-E02380-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-E02380-02Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140-67-0
Pictogram
07 - Irritant; 08 - Health Hazard
UDF Signal Word
Warning
MDL Number
MFCD00008653
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H317 May cause an allergic skin reaction; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H341 Suspected of causing genetic defects; H351 Suspected of causing cancer.
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; P308+P313 IF exposed or concerned: Get medical advice/attention; P333+P313 IF SKIN irritation or rash occurs: Get medical advice/attention.

Chemical Information

Estragole

Estragole can cause cancer according to an independent committee of scientific and health experts.

CAS Number140-67-0
PubChem CID8815
IUPAC Name1-methoxy-4-prop-2-enylbenzene
Molecular FormulaC10H12O
Molecular Weight148.20
XLogP3.4
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity112
SMILES
COC1=CC=C(C=C1)CC=C
InChI
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
InChIKey
ZFMSMUAANRJZFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Estragole
CAS: 140-67-0
CID: 8815
Formula: C10H12O
MW: 148.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.20
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass148.088815002
Monoisotopic Mass148.088815002
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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