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Cyclodeca[b]furan-6-carboxylicacid,5-(acetyloxy)-4-(2,3-dihydroxy-2-methyl-1-oxobutoxy)-2,3,3a,4,5,8,9,11a-octahydro-3,10-dimethyl-2-oxo-,methyl ester (9CI) structure
Cyclodeca[b]furan-6-carboxylicacid,5-(acetyloxy)-4-(2,3-dihydroxy-2-methyl-1-oxobutoxy)-2,3,3a,4,5,8,9,11a-octahydro-3,10-dimethyl-2-oxo-,methyl ester (9CI) structure

Cyclodeca[b]furan-6-carboxylicacid,5-(acetyloxy)-4-(2,3-dihydroxy-2-methyl-1-oxobutoxy)-2,3,3a,4,5,8,9,11a-octahydro-3,10-dimethyl-2-oxo-,methyl ester (9CI)

Iupac Name:2-sulfanylethanol
CAS No.:155613-89-1
Molecular Weight:78.13
1. Names and Identifiers
1.1 Name
Cyclodeca[b]furan-6-carboxylicacid,5-(acetyloxy)-4-(2,3-dihydroxy-2-methyl-1-oxobutoxy)-2,3,3a,4,5,8,9,11a-octahydro-3,10-dimethyl-2-oxo-,methyl ester (9CI)
1.2 Synonyms

Butyric acid, 2,3-dihydroxy-2-methyl-,6-ester with 5,6,8-trihydroxygermacra-3,9-diene-12,15-dioic acid 12,8-lactonemethyl ester acetate (8CI) Germacra-3,9-diene-12,15-dioicacid, 5,6,8-trihydroxy-, 12,8-lactone, methyl ester, 5-acetate2,3-dihydroxy-2-methylbutyrate (8CI) Polydalin, tetrahydro- Tetrahydropolydalin

1.3 CAS No.
155613-89-1
1.4 EINECS(EC#)
247-546-8
1.5 Inchi
InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
1.6 InChkey
DGVVWUTYPXICAM-UHFFFAOYSA-N
2. Properties
2.1 Boiling Point
471.8°Cat760mmHg
2.2 Refractive Index
1.499-1.502
2.3 Flash Point
193.6°C
3. Safety and Handling
3.1 Risk Statements
R22;R24;R36/37/38;R51/53
3.2 Safety Statements
S23;S26;S29;S36/37/39;S61
3.3 PackingGroup
II
3.4 Transport
UN 2966
4. Computational chemical data
  • Molecular Weight:78.13g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:78.014
  • Monoisotopic Mass:78.014
  • Complexity:10
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:21.2A^2
  • Heavy Atom Count:4
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBAIABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQACAAAAACkwAKAAAAAAgQA AAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==