Name: 1-Phenyldodecane-[d30]
Brand: BOC Sciences
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General Information

Catalog: BLP-010299

CAS: 352431-29-9

Molecular Formula: C18D30

Molecular Weight: 276.62

Chemical Structure

Description	1-Phenyldodecane-[d30] is the labelled analogue of Dodecylbenzene, which is a kind of surfactant used to prepare sodium dodecylbenzenesulfonate, an anionic detergent. It is a petrochemically-derived substitute used in the production of soap, tallow and coconut oil.
Synonyms	(2H25)Dodecyl(2H5)benzene
IUPAC Name	1,2,3,4,5-pentadeuterio-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecyl)benzene
Related CAS	123-01-3 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])[2H])[2H]
Canonical SMILES	CCCCCCCCCCCCC1=CC=CC=C1
InChI	InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D,12D2,13D,14D,15D2,16D,17D
InChI Key	KWKXNDCHNDYVRT-NPTDWAEGSA-N
Boiling Point	331.4±5.0°C at 760 mmHg
Purity	98% atom D
Density	0.9±0.1 g/cm3