 Home > Encyclopedia > OCTOXYNOL-3

OCTOXYNOL-3

OCTOXYNOL-3 structure

CAS No:
2315-67-5
Formula:
C16H26O2
Chemical Name:
OCTOXYNOL-3
Synonyms:
OCTOXYNOL-3;2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethanol;4-tert-Octylphenol EO;4-tert-Octylphenol Monoethoxylate;2-(4-tert-Octylphenoxy)ethanol;2-[p-(1,1,3,3-TetraMethylbutyl)phenoxy]ethanol;4-tert-Octylphenyl (2-Hydroxyethyl)ether;NSC 5259
Categories:
Cosmetic Ingredient > Emulsifying Agent

Description

Pale Yellow Oil

Triton X-100 is a poly(ethylene glycol) derivative that is poly(ethylene glycol) in which one of the terminal hydroxy groups has been converted into the corresponding p-(2,4,4-trimethylpentan-3-yl)phenyl ether. It has a role as a nonionic surfactant.|Nonionic surfactant mixtures varying in the number of repeating ethoxy (oxy-1,2-ethanediyl) groups. They are used as detergents, emulsifiers, wetting agents, defoaming agents, etc. Octoxynol-9, the compound with 9 repeating ethoxy groups, is a spermatocide.

OCTOXYNOL-3 Basic Attributes

Molecular Weight：

250.38

Exact Mass：

250.38

BRN：

2114647

EC Number：

621-345-9

UNII：

20CAX7IO75

NSC Number：

406472|5259

DSSTox ID：

DTXSID1058680

Color/Form：

Off-White to Pale Yellow Oil

HScode：

2909499000

Characteristics

PSA：

29.5

XLogP3：

4.61

Density：

0.980-0.990 g/cm3(Temp: 25 °C)

Boiling Point：

351.2±25.0 °C(Predicted)

Flash Point：

-17℃

Refractive Index：

1.496

Storage Conditions：

-20°C

PKA：

14.29±0.10(Predicted)

Critical Temperature & Pressure：

-20°C

Safety Information

Transport codes：

UN1090 - class 3 - PG 2 - Acetone, solution

wgk germany：

hazard class code：

F,Xi

safety instructions：

16-26-61-9

Marks：

F,Xi

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

11-36-52/53-66-67

RIDADR：

UN1090 - class 3 - PG 2 - Acetone, solution

GHS Classification：

|Danger|H302 (84.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 362 companies from 32 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313

Drug Information

MeSH：

Agents used to prevent the formation of foam or to treat flatulence or bloat. (See all compounds classified as Antifoaming Agents.)|Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)|Usually inert substances added to a prescription in order to provide suitable consistency to the dosage form. These include binders, matrix, base or diluent in pills, tablets, creams, salves, etc. (See all compounds classified as Excipients.)|Chemical substances that are destructive to spermatozoa used as topically administered vaginal contraceptives. (See all compounds classified as Spermatocidal Agents.)|Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics. (See all compounds classified as Surface-Active Agents.)

MeSH Entry Terms：

Octoxinol

OCTOXYNOL-3 Use and Manufacturing

Uses

A common enironmental pollutant showing weak estrogenic effects.Has been shown to cause harm to the male reproductive system of vertebrates in particular among aquatic species where gonadal intersex, altered sex ratios, and reduced gonad size has been observed.

Use Classification：

Cosmetics -> Cleansing; Emulsifying; Surfactant

Computed Properties

Molecular Weight:250.38
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:250.193280068
Monoisotopic Mass:250.193280068
Topological Polar Surface Area:29.5
Heavy Atom Count:18
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes