Prenyl acetate

CAT: 0286-P24661-02Size: 500 gDry Ice: NoHazardous: Yes

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CAT#:0286-P24661-02Size:500 g

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CAS Number

1191-16-8

Synonyms

3-Methyl-2-butenyl acetate; Acetic acid 3-methyl-2-butenyl ester; Acetic acid prenyl ester

UN Code

UN3272

Pictogram

02 - Flammable; 07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00036569

Hazard Statement

H226 Flammable liquid and vapor; 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

Esters, N.O.S.

DOT Classification

Class 3

Packaging Group

PGIII

Precautions

P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; 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; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Prenyl acetate

Isopentenyl acetate is a carboxylic ester.

CAS Number	1191-16-8
PubChem CID	14489
IUPAC Name	3-methylbut-2-enyl acetate
Molecular Formula	C7H12O2
Molecular Weight	128.17
XLogP	1.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	121

SMILES

CC(=CCOC(=O)C)C

InChI

InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3

InChIKey

XXIKYCPRDXIMQM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1191-16-8

CID: 14489

Formula: C7H12O2

MW: 128.17

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	128.17
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	128.083729621
Monoisotopic Mass	128.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Prenyl acetate

Chemical Information

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