gamma-Hydroxypropyl ethyl sulfide

HCID 87762
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Basic information

CAS
18721-61-4
Standard SMILES
CCSCCCO
InChIKey
KRUJXSIEMOWXOF-UHFFFAOYSA-N
Molecular formula
C5H12OS
Average molar mass
120.22 g/mol
Monoisotopic mass
120.06088618

Names & identifiers

Preferred name
gamma-Hydroxypropyl ethyl sulfide
IUPAC
3-ethylsulfanylpropan-1-ol
English name
3-(Ethylthio)propanol
Molecular formula
C5H12OS
Molecular weight
120.21

Names & synonyms

3-(Ethylthio)propanol18721-61-43-(ethylthio)propan-1-ol1-Propanol, 3-(ethylthio)-3-ethylsulfanylpropan-1-ol3-(ethylthio)-1-propanolGV26YUE5ZTEthyl 3-hydroxypropyl sulfideEINECS 242-534-9NSC-139001gamma-Hydroxypropyl ethyl sulfideDTXSID50171991
Show more names
3-Ethylthio-1-propanol3-(ethylthio)-1-propanoEthyl-3-(hydroxypropyl)sulfideEthyl 3-(hydroxypropyl) sulphide
NSC 139001.GAMMA.-HYDROXYPROPYL ETHYL SULFIDERefChem:639590DTXCID1094482242-534-93-(ethylsulfanyl)propan-1-olMFCD002360413-ethyl thiopropanol

Database identifiers

CAS
18721-61-4
PubChem CID
87762
DTXSID
DTXSID50171991
UNII
GV26YUE5ZT
EC Number
242-534-9
Nikkaji
J222.284A

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
45.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
7

Experimental & physicochemical properties

Kovats Retention Index1802

Physicochemical properties

Boiling point
227 · 227-228°C
Density
0 · 0,992 g/cm3
refractive index
1.483 · 1.4830
FLAVIS Number
12.129 · 12.129 | 3-(Ethylthio)propan-1-ol
Flash point
75 °C · 75°C
form
solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: 1-Propanol, 3-(ethylthio)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Propanol, 3-(ethylthio)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Regulatory information

Regulatory Information · 3 items

Chemical: 1-Propanol, 3-(ethylthio)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Propanol, 3-(ethylthio)-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk
WGK 3
risk_code
36/37/38
Symbol(GHS)
GHS07
safety_code
26-36/37/39
Storage Class
11 - Combustible Solids
Hazard statements
H315-H319-H335

Chemistry & industry

Suppliers12 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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