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Merck
CN

59442

(S)-4-Benzyloxymethyl-2,2-dimethyl-1,3-dioxolane

≥95.0% (sum of enantiomers, GC)

Synonym(s):

3-Benzyl-1,2-isopropylidene-sn-glycerol, D-α,β-Isopropylideneglycerol-γ-benzyl ether

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About This Item

Empirical Formula (Hill Notation):
C13H18O3
CAS Number:
16495-03-7
Molecular Weight:
222.28
PubChem Substance ID:
57651684
UNSPSC Code:
12352005
Beilstein/REAXYS Number:
82963
MDL number:
MFCD00043000

Key Documents

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SMILES string

CC1(C)OC[C@H](COCc2ccccc2)O1

InChI

1S/C13H18O3/c1-13(2)15-10-12(16-13)9-14-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3/t12-/m0/s1

InChI key

DBFDSKSLTCMIPB-LBPRGKRZSA-N

assay

≥95.0% (sum of enantiomers, GC)

optical activity

[α]20/D +21±1°, c = 4% in chloroform

refractive index

n20/D 1.496

bp

79-80 °C/0.05 mmHg (lit.)

density

1.050 g/mL at 20 °C (lit.)

storage temp.

2-8°C

Other Notes

Chiral building block; synthesis of chiral glycerides

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

212.0 °F - closed cup

flash_point_c

100 °C - closed cup

ppe

Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
1062875
037334/1
036782/1
014807/1
14807/1

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K. Yamauchi et al.
Journal of the Chemical Society. Perkin Transactions 1, 765-765 (1986)
B.T. Golding et al.
Synthesis, 423-423 (1977)
J. Oehlenschlager et al.
Lipids, 13, 557-557 (1978)
G. Hirth et al.
Helvetica Chimica Acta, 65, 1059-1059 (1982)

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