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Safety Information

87649

Sigma-Aldrich

(S)-(+)-1,2,3,4-Tetrahydro-1-naphthol

puriss., ≥99.0% (sum of enantiomers, GC)

Synonym(s):

(S)-(+)-α-Tetralol

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About This Item

Empirical Formula (Hill Notation):
C10H12O
CAS Number:
53732-47-1
Molecular Weight:
148.20
Beilstein:
2208779
MDL number:
MFCD00063006
UNSPSC Code:
12352002
PubChem Substance ID:
329769591
NACRES:
NA.22

grade

puriss.

Assay

≥99.0% (sum of enantiomers, GC)

form

crystals

optical activity

[α]20/D +33±1°, c = 2.5% in chloroform

optical purity

enantiomeric ratio: 99:1 (GC)

mp

37-39 °C

SMILES string

O[C@H]1CCCc2ccccc12

InChI

1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7H2/t10-/m0/s1

InChI key

JAAJQSRLGAYGKZ-JTQLQIEISA-N

Gene Information

human ... UGT2B17(7367) , UGT2B7(7364)

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

87649-5G:
87649-1G:
87649-VAR:
87649-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
060939/1V
1436135V
1436135
060939/1
60939/1

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Urmi Dhagat et al.
Bioorganic & medicinal chemistry letters, 20(17), 5274-5276 (2010-07-27)
A comparison of the structures and kinetic properties of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1) and its mutant enzymes (Leu308Val and Leu308Ala) indicates that Leu308 is a selectivity determinant for substrate binding. While the Leu308Val mutation improved the catalytic efficiency (k(cat)/K(m)) of
Ingo Bichlmaier et al.
Journal of medicinal chemistry, 49(5), 1818-1827 (2006-03-03)
A set of 28 enantiomers comprising rigid and flexible secondary alcohols was synthesized by the asymmetric Corey-Bakshi-Shibata reduction. The enantiomerically pure alcohols were subjected to enzymatic glucuronidation assays employing the human UDP-glucuronosyltransferases (UGTs) 2B7 and 2B17. Both UGTs displayed high

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