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2-Hydroxyethyl octadec-9-enoate

HCID 78255
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
9004-96-0
Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCCO
InChIKey
MUHFRORXWCGZGE-UHFFFAOYSA-N
Molecular formula
C20H38O3
Average molar mass
326.5 g/mol
Monoisotopic mass
326.28209507

Overview

See also: Oleic acid, ethoxylated (annotation moved to) ... View More ...

Names & identifiers

Preferred name
2-Hydroxyethyl octadec-9-enoate
IUPAC
2-hydroxyethyl octadec-9-enoate
English name
Polyethylene glycol monooleate
Molecular formula
(C2H4O)nC18H34O2
Molecular weight
0

Names & synonyms

9004-96-02-hydroxyethyl octadec-9-enoate2-Hydroxyethyl (9Z)-9-octadecenoateSCHEMBL324737DTXSID00860045MUHFRORXWCGZGE-UHFFFAOYSA-N9-octadecenoic acid 2-hydroxyethyl ester25905-73-1peg600moPEG-7 OLEATEPEG-8 OLEATEPEG-10 OLEATE
Show more names
PEG-12 OLEATEPeg monooleatePoly(oxy-1,2-ethanediyl), .alpha.-(9Z)-1-oxo-9-octadecenyl-.omega.-hydroxy-ok7pooas1132

Database identifiers

CAS
9004-96-0
PubChem CID
78255
DTXSID
DTXSID00860045

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
18
Heavy atoms
23
Formal charge
0
Complexity
274

Experimental & physicochemical properties

PolymersOther Classes -> Polyoxyethylenes
CosmeticsEmulsifying; Surfactant
Food Contact Substances · 4 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical DescriptionYellow liquid with a fatty odor; [BASF MSDS]

Physicochemical properties

Boiling point
260 °C · >260 °C(lit.)
Density
1.034 g/mL · 1.034 g/mL at 25 °C
refractive index
20 · n20/D 1.468
Flash point
113 °C · 113 °C
storage temp.
Amber Vial, Refrigerator
solubility
toluene, ethanol and acetone: soluble (dispersible in water)

Safety & regulation

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

Hazard information

Regulatory InformationPolyoxyethylene monoleate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mild skin and eye irritant; [RTECS] Not a skin or eye irritant; Essentially non-toxic; [BASF MSDS]

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
1
tsca
TSCA listed
rtecs
MD0880000
hs_code
3907990100
Toxicity
LD50 oral in mouse: > 25gm/kg
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used as a textile chemical; [BASF MSDS]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

Household ProductsInformation on 3 consumer products that contain Polyglycol oleate in the following categories is provided:
Use ClassificationCosmetics -> Emulsifying; Surfactant
Applications · 3 items

UsesPegosperse(R) 200 MO is used as an emulsifier for personal care and water treatment and as a processing aid in textile industry.

UsesPegosperse(R) 600 MO is used as an emulsifier for personal care and water treatment and as a processing aid in textile industry.

UsesPegosperse(R) 400 MO is a mid-range HLB, surface active agent suggested for use in animal feed (emulsifier), cosmetics (emulsifier), textile chemicals (emulsifier, lubricant, softener, scouring agent), coatings (emulsifier) and industrial degreasers.

Upstream & downstream products

Upstream raw materials

Ethylene oxideOleic acid

Downstream products

Levelling agent GS

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

Related reactions

1 records
New reaction record
HRID 2258385 reaction equation
HRID 2258385As reactantuspto-grants-1997_08

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
form
Oil
color
Colourless to Light Beige
Water Solubility
toluene, ethanol and acetone: soluble (dispersible in water)
Hydrophilic-Lipophilic Balance (HLB)
15.1 · 15.1
Stability
Light Sensitive
Cosmetics Ingredients Functions
SURFACTANT - EMULSIFYINGSURFACTANT - CLEANSING
InChI
InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10,21H,2-8,11-19H2,1H3
InChIKey
MUHFRORXWCGZGE-UHFFFAOYSA-N
SMILES
C(CC(=O)O{-}CC{+n}O)CCCCCC=CCCCCCCCC
LogP
7.185 · 7.185 (est)
Indirect Additives used in Food Contact Substances
PEG OLEATE
FDA 21 CFR
175.3 · 175.300
EWG's Food Scores
1 · 1-6
FDA UNII
-5 OLEATE · PEG-5 OLEATE (0240V77G50)PEG-23 OLEATE (2FD90866XK)PEG-10 OLEATE (1QP5V188NK)PEG-14 OLEATE (389T9L615J)PEG-11 OLEATE (3IK2M53J2M)
EPA Substance Registry System
Polyethylene glycol monooleate (9004-96-0)
UNSPSC Code
12162002 · 12162002
NACRES
23 · NA.23
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
319 · H319
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P
PPE
95 · Eyeshields, Gloves, type N95 (US)
WGK Germany
1 · 1
RTECS
880000 · MD0880000
TSCA
TSCA listed
HS Code
3907990100 · 3907990100
Storage Class
11 · 11 - Combustible Solids
Toxicity
50 oral · LD50 oral in mouse: > 25gm/kg
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