Chemical identity

Trans-Sobrerol

CAS 42370-41-2 · C10H18O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-30013
PubChem CID854498
NameTrans-Sobrerol
CAS RN42370-41-2
Molecular formulaC10H18O2
Molecular weight170.25 g/mol
IUPAC name(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-enol
InChIKeyOMDMTHRBGUBUCO-BDAKNGLRSA-N

02Structure identifiers

2D structurePubChem CID 854498
Two-dimensional chemical structure of Trans-Sobrerol, CAS 42370-41-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=CC[C@H](C[C@@H]1O)C(C)(C)O
InChINot listed
Formula from structureC10H18O2
Molecular weight from structure170.25 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

3 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 42370-41-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 42370-41-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

SOBREROL

View API and impurity family

Other names

  • (1R,5S)-5-(2-Hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
  • Trans-P-Menth-6-En-2,8-Diol
  • trans-Sobrerol
  • DTXSID501317156
  • RefChem:898911
  • DTXCID101837770
  • 42370-41-2
  • Sobrerol, (-)-trans-
  • UNII-7WJQ6A6U4W
  • 7WJQ6A6U4W
  • (1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
  • 71697-84-2

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources