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Isobornyl acetate 94%

CAT: 0286-I05520-01Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0286-I05520-01Size:100 mL
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CAS Number
125-12-2
Synonyms
2-Camphanyl acetate; Acetic acid isobornyl ester
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00135943
Hazard Statement
H227 Combustible liquid; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; 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

Isobornyl acetate

isobornyl acetate has been reported in Micromeria juliana and Plectranthus glabratus with data available.

CAS Number125-12-2
PubChem CID637531
IUPAC Name[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
Molecular FormulaC12H20O2
Molecular Weight196.29
XLogP3.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity269
SMILES
CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C
InChI
InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/m1/s1
InChIKey
KGEKLUUHTZCSIP-FOGDFJRCSA-N
Chemical Structure
2D Structure
2D structure of Isobornyl acetate
CAS: 125-12-2
CID: 637531
Formula: C12H20O2
MW: 196.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.29
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass196.146329876
Monoisotopic Mass196.146329876
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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