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Alcohols, C12-13 structure
Alcohols, C12-13 structure

Alcohols, C12-13

Iupac Name:boric acid
CAS No.: 10043-35-3
Molecular Weight:61.83302
Modify Date.: 2022-03-11 13:45
1. Names and Identifiers
1.1 Name
Alcohols, C12-13
1.2 Synonyms

Alchem 123 C12-13 Alcohol C12-13 ALCOHOLS Diadol 23L Dobanol 123 Dobanol 23 Einecs 278-306-0 Neodol 23 Neodol 23-6.8 Neodol R 23 Oxocol 1213 Safol 23

1.3 CAS No.
10043-35-3
1.4 CID
7628
1.5 Molecular Formula
Al2Sm (isomer)
1.6 Inchi
InChI=1S/BH3O3/c2-1(3)4/h2-4H
1.7 InChkey
KGBXLFKZBHKPEV-UHFFFAOYSA-N
1.8 Canonical Smiles
B(O)(O)O
1.9 Isomers Smiles
B(O)(O)O
2. Properties
3.1 Melting point
169℃
3.1 Refractive index
1.462
3.1 Flash Point
233.1°C
3.1 Vapour pressure
1.6X10-6 mm Hg at 25 deg C (2.136X10-4 Pa); log P (in Pa) = 26.83 - 9094/T where T is deg K
3.1 Precise Quality
62.01750
3.1 PSA
60.69000
3.1 logP
-2.05180
3.1 Color/Form
Leaflets from dilute alcohol
COLORLESS LIQ AT ROOM TEMP; CRYSTALLINE OR FLAKES BELOW 20 DEG C
Colorless solid
3.2 Water Solubility
Soluble in ethanol, ether; very soluble in benzene
Soluble in two parts of 70% alcohol
In water, 4 mg/L at 25 deg C
3.3 Spectral Properties
INDEX OF REFRACTION: 1.4400-1.4440 AT 20 DEG C/D
SADTLER REFERENCE NUMBER: 1492 (IR, PRISM)
IR: 251 (Sadtler Research Laboratories IR Grating Collection)
1H NMR: 103 (Sadtler Research Laboratories Spectral Collection)
Raman: 612 (Sadtler Research Laboratories Spectral Collection)
MASS: 63858 (NIST/EPA/MSDC Mass Spectral database, 1990 version): 1002 (National Bureau of Standards)
3. Safety and Handling
4.1 Symbol
GHS08
4.1 Signal Word
Danger
4.1 Risk Statements
R60
4.1 Safety Statements
S45;S53
4.1 Exposure Standards and Regulations
Lauryl alcohol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.
Lauryl alcohol is an indirect food additive for use as a component of adhesives.
4.2 Packing Group
Z01
4.2 Octanol/Water Partition Coefficient
log Kow = 5.13
4.3 Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
4.4 Hazard Declaration
H360FD
4.4 Cleanup Methods
AEROBIC: A 5-day theoretical BOD of 20% was observed for 1-dodecanol in an aerobic screening test using a sewage inoculum(1). A 5-day theoretical BOD of 23.2% was observed for 1-dodecanol in a standard BOD dilution test using a mixed microbial inoculum(2-3). A 5-day theoretical BOD of 27-29.7% was observed for 1-dodecanol in a standard BOD aerobic screening test using a sewage inoculum or an acclimated activated sludge inoculum(4); using a Warburg respirometer technique and a sewage inoculum, a 6-hr theoretical BOD of 15.2% was observed(4). Using a Warburg respirometer technique and various activated sludge inoculum, respective 6-hr, 12-hr and 24-hr theoretical BODs of 4.5, 10.1 and 13.4% were observed(5).
4.5 DisposalMethods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
4.6 RIDADR
无资料?
4.6 Fire Fighting Procedures
Alcohol foam, carbon dioxide, dry chemical. Water or foam may cause frothing. Water may be ineffective on fire. Cool exposed containers with water.
4.7 FirePotential
Combustible when it is exposed to heat or flame.
4.8 Caution Statement
P201-P308 + P313
4.8 Formulations/Preparations
Grades: Technical, FCC
Lorol 810: C6 alcohol, 0-5 wt%; C8 alcohol, 50-66 wt%; C10 alcohol, 30-40 wt%; C12 alcohol, 3-8 wt% /from table/
4.9 WGK Germany
2
4.9 RTECS
ED4550000
4.9 Protective Equipment and Clothing
Liquid will cause burning of the eyes and may irritate the skin.
4.10 Reactivities and Incompatibilities
...Can react with oxidizing materials.
4.11 Skin, Eye, and Respiratory Irritations
Liquid will cause burning of the eyes and may irritate the skin.
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360FD

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 61.83302g/mol
  • Molecular Formula: Al2Sm
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 62.0175241
  • Monoisotopic Mass: 62.0175241
  • Complexity: 8
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 60.7
  • Heavy Atom Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcQIAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
  • Yes, ethylene glycol enhances the acidity of orthoboric acid. As it is a cis— diol forms the complex with boric acid by releasing the protons.
  • I am a high school student and was studying about the effects of heating orthoboric acid, and I saw two textbooks putting different statements. One book says, On heating above 370K, orthoboric acid forms metaboric acid, which on further heating forms boric oxide. H X 3 B O X 3 ∆ → H B O X 2 ∆ → B...
  • What should be the hybridization of the oxygen atom? A) It should be s p 2 " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" s p 2 s p 2 as 1 lone pair must be in the unhybridized orbital for back bonding with boron which has a vacant p-orbital B)It should be s...
  • Orthoboric Acid is an organic active ingredient that contains the naturally occurring element Boron. It has been regularly used in the U.S. since 1948 as a natural pest control method to eliminate cockroaches, fleas, ants, and silverfish. Orthoboric acid in its original form is an odorless and natu...
8. Realated Product Infomation