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Ethanol, 2-(dodecylthio)-

HCID 73835
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1462-55-1
Standard SMILES
CCCCCCCCCCCCSCCO
InChIKey
ZPIRWAHWDCHWLM-UHFFFAOYSA-N
Molecular formula
C14H30OS
Average molar mass
246.45 g/mol
Monoisotopic mass
246.20173675

Names & identifiers

Preferred name
Ethanol, 2-(dodecylthio)-
IUPAC
2-dodecylsulfanylethanol
English name
2-(dodecylthio)ethanol
Molecular formula
C14H30OS
Molecular weight
246.4524

Names & synonyms

2-(Dodecylthio)ethanolEthanol, 2-(dodecylthio)-2-(Dodecylsulfanyl)ethan-1-ol3-thiapentadecanolRYY9XCM4E9DODECYL 2-HYDROXYETHYL SULFIDENSC-524644DTXSID60739442-DODECYLSULFANYL-ETHANOLNSC 524644.BETA.-(LAURYLTHIO)ETHYL ALCOHOLRefChem:138293
Show more names
2-(laurylthio)ethanol2-(N-DODECYLTHIO)ETHANOL
DTXCID6034762BETA-(LAURYLTHIO)ETHYL ALCOHOL1462-55-12-dodecylsulfanylethanol2-dodecylthioethan-1-olEthanol,2-(dodecylthio)-C14H30OSEINECS 215-969-7

Database identifiers

CAS
1462-55-1
PubChem CID
73835
DTXSID
DTXSID6073944
UNII
RYY9XCM4E9
EC Number
215-969-7
Nikkaji
J111.271F

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
45.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
13
Heavy atoms
16
Formal charge
0
Complexity
117

Physicochemical properties

FDA UNII
9 XCM4E9 · RYY9XCM4E9
EPA Substance Registry System
2 · Ethanol, 2-(dodecylthio)- (1462-55-1)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Ethanol, 2-(dodecylthio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAquatic Chronic 4 (100%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H413
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2-(dodecylthio)-: ACTIVE

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Related reactions

9 records
New reaction record
HRID 1076759 reaction equation
HRID 1076759As reactantuspto-grants-1976_05
HRID 1215269 reaction equation
HRID 1215269As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1383944 reaction equation
HRID 1383944As productuspto-grants-2001_07
HRID 1383945 reaction equation
HRID 1383945As reactantuspto-grants-2001_07
HRID 1559909 reaction equation
HRID 1559909As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1700929 reaction equation
HRID 1700929As productuspto-grants-2002_02
HRID 1700930 reaction equation
HRID 1700930As reactantuspto-grants-2002_02
HRID 1974376 reaction equation
HRID 1974376As reactantuspto-grants-1976_12
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Compound notes

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