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Home > Encyclopedia > (S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H structure

(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H 

structure
  • CAS No:

    17553-86-5

  • Formula:

    C10H12O2

  • Chemical Name:

    (S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H

  • Synonyms:

    (S)-7a-methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H;AT-51114;7a-methyl-2,3,7,7a-tetrahydro-1H-indene-1,5(6H)-di;AT-51113;(+)-7,7a-Dihydro-7aβ-Methyl-1,5(6H)-indandione;(7aS)-2,3,7,7a-Tetrahydro-7a-Methyl-1H-indene-1,5(6H)-dione;(S)-(+)-Hajos-Parrish Ketone;(S)-7a-Methyl-7,7a-dihydro-indan-1,5(6H)-dione

(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H Basic Attributes

164.2

164.083729621 g/mol

Characteristics

34.1 Ų

1.0041

57-64 °C

231.67°C (rough estimate)

1.5480 (estimate)

Safety Information

UN 2811 6.1/PG 3

1

22-36/37/38-43

26-36/37-39

Xn

|Danger|H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(S)-(+)-2,3,7,7A-TETRAHYDRO-7A-METHYL-1H Use and Manufacturing

An intermediate in the Indenedione preparation.

Computed Properties

Molecular Weight:164.20
XLogP3:0.3
Hydrogen Bond Acceptor Count:2
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:12
Complexity:288
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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