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Merck
CN

766429

(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane

Synonym(s):

exo-(-)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane, Isothiocineole

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About This Item

Empirical Formula (Hill Notation):
C10H18S
CAS Number:
5718-75-2
Molecular Weight:
170.31
NACRES:
NA.22
PubChem Substance ID:
329767235
UNSPSC Code:
12352005
EC Number:
227-219-6
MDL number:
MFCD18252878

Key Documents

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InChI key

FAXNZPOZWCWYBD-DJLDLDEBSA-N

InChI

1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1

SMILES string

C[C@H]1CC[C@@H]2C[C@H]1SC2(C)C

assay

95%

form

liquid

storage temp.

2-8°C

pictograms

Environment
GHS09

hcodes

H411

Hazard Classifications

Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

190.0 °F

flash_point_c

87.8 °C

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBL6580

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