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Geranyl isovalerate

CAT: 0286-G01120-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0286-G01120-02Size:10 g
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CAS Number
109-20-6
Synonyms
Trans-3,7-Dimethyl-2,6-octadien-1-ol methylbutyrate; Isovaleric acid geranyl ester
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00036514
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

Geranyl isovalerate

Geranyl 3-methylbutanoate is a carboxylic ester.

CAS Number109-20-6
PubChem CID5362830
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate
Molecular FormulaC15H26O2
Molecular Weight238.37
XLogP4.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count17
Formal Charge0
Complexity281
SMILES
CC(C)CC(=O)OC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
InChIKey
SOUKTGNMIRUIQN-NTEUORMPSA-N
Chemical Structure
2D Structure
2D structure of Geranyl isovalerate
CAS: 109-20-6
CID: 5362830
Formula: C15H26O2
MW: 238.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.37
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass238.193280068
Monoisotopic Mass238.193280068
Topological Polar Surface Area26.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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A30260-01Ammonium isovalerate
Z00720-01Zinc isovalerate
P23220Potassium isovalerate
C31510Cyclohexyl isovalerate
A31540-01N-Amyl isovalerate
M21350Methyl isovalerate 98%

Alternative Products

CatalogName
OR1025150-01Geranyl Isovalerate
RG-E141220-01Geranyl geranyl chloride
TCL-00169-01Pentyl isovalerate
sc-484741Isoamyl Isovalerate
OR1028696-01Propyl Isovalerate
OR1012364-01Benzyl Isovalerate
M23737-01Menthyl isovalerate
HY-W334505Cinnamyl isovalerate
TRC-S539660-2.5GSodium Isovalerate
sc-279422AMethyl isovalerate

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