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Merck
CN

80595

(1S)-(−)-trans-Pinane

analytical standard

Synonym(s):

(1S,2S)-2,6,6-Trimethylbicyclo[3.1.1]heptane

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About This Item

Empirical Formula (Hill Notation):
C10H18
CAS Number:
Molecular Weight:
138.25
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
EC Number:
233-629-6
Beilstein/REAXYS Number:
2321791
MDL number:
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InChI key

XOKSLPVRUOBDEW-CIUDSAMLSA-N

InChI

1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m0/s1

SMILES string

[H][C@]12CC[C@H](C)[C@]([H])(C1)C2(C)C

grade

analytical standard

assay

≥98.5% (sum of enantiomers, GC)

optical activity

[α]20/D −17±1°, neat

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.461

bp

165-167 °C (lit.)

density

0.854 g/mL at 20 °C (lit.)

application(s)

food and beverages

format

neat

Quality Level

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Flame

signalword

Warning

hcodes

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

118.4 °F - closed cup

flash_point_c

48 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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