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8.14998

Isobornyl acetate

Name: Isobornyl acetate
Brand: MM

for synthesis

Synonym(s):

Isobornyl acetate, Acetic acid isobornyl ester, exo-(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate

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About This Item

Empirical Formula (Hill Notation):

C₁₂H₂₀O₂

CAS Number:

125-12-2

Molecular Weight:

196.29

UNSPSC Code:

12352108

EC Index Number:

204-727-6

NACRES:

NA.22

MDL number:

MFCD00135943

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Properties

vapor pressure

0.13 hPa ( 20 °C)

Quality Level

200

assay

≥94.0% (GC)

form

liquid

autoignition temp.

440 °C (DIN 51794)

potency

>10000 mg/kg LD₅₀, oral (Rat), >20000 mg/kg LD₅₀, skin (Rabbit)

kinematic viscosity

4.53 cSt(40 °C)

bp

215 °C/1013 hPa

transition temp

flash point 89 °C

density

0.98 g/cm³ at 20 °C

storage temp.

2-30°C

SMILES string

O([C@@H]1[C@@]2(C([C@@H](C1)CC2)(C)C)C)C(=O)C

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

InChI key

KGEKLUUHTZCSIP-JFGNBEQYSA-N

Description

Analysis Note

Assay (GC, area%): ≥ 94.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.979 - 0.984
Spec. rotation [α²0/D (undiluted): -4.0 - +2.0 °
Identity (IR): passes test

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Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

192.2 °F - closed cup

flash_point_c

89 °C - closed cup

Certificates of Analysis (COA)

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