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242594

Sigma-Aldrich

sec-Butyl acetate

99%

Synonym(s):

(±)-2-Butyl acetate, (±)-sec-Butyl acetate, 1-Methylpropyl acetate, 2-Acetoxybutane, 2-Butyl acetate, Acetic acid sec-butyl ester, Ultrasolve M 1200, sec-Butyl alcohol acetate (6CI), sec-Butyl ethanoate

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About This Item

Linear Formula:
CH3CO2CH(CH3)C2H5
CAS Number:
105-46-4
Molecular Weight:
116.16
EC Number:
203-300-1
MDL number:
MFCD00009328
UNSPSC Code:
12352100
PubChem Substance ID:
24854570
NACRES:
NA.22
Pricing and availability is not currently available.

vapor density

4 (vs air)

Quality Level

100

Assay

99%

form

liquid

expl. lim.

7.5 %

refractive index

n20/D 1.389 (lit.)

bp

111-112 °C (lit.)

mp

−99 °C (lit.)

solubility

alcohol: soluble(lit.)
diethyl ether: soluble(lit.)
water: slightly soluble(lit.)

density

0.872 g/mL at 25 °C (lit.)

functional group

ester

SMILES string

CCC(C)OC(C)=O

InChI

1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3

InChI key

DCKVNWZUADLDEH-UHFFFAOYSA-N

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Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H315,H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

60.8 °F

Flash Point(C)

16 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV0385
MKCQ1514
MKCM9659
MKCJ8508
MKCJ2072

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Chirality (2018-06-10)
We previously identified and characterized 1 novel deep-sea microbial esterase PHE21 and used PHE21 as a green biocatalyst to generate chiral ethyl (S)-3-hydroxybutyrate, 1 key chiral chemical, with high enantiomeric excess and yield through kinetic resolution. Herein, we further explored
W S Wu et al.
The Analyst, 122(4), 321-323 (1997-04-01)
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The Journal of neuroscience : the official journal of the Society for Neuroscience, 40(38), 7269-7285 (2020-08-21)
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Food research international (Ottawa, Ont.), 123, 298-310 (2019-07-10)
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