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Home> Hot Product Listed 1   > 1,3-Propanediol,2-ethyl-2-[(2-hydroxyethoxy)methyl]-
112-02-7 structure

1,3-Propanediol,2-ethyl-2-[(2-hydroxyethoxy)methyl]-

CAS No.:112-02-7
EINECS(EC#): 261-641-1
Molecular Weight:319.99648
Molecular Formula:C8H9N3S (isomer)
Names and Identifiers
Synonyms

3-Propanediol, 2-ethyl-2-[(2-hydroxyethoxy)methyl]-1

Inchi
InChI=1/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChkey
WOWHHFRSBJGXCM-UHFFFAOYSA-M
Canonical Smiles
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
Properties
Melting Point
232-234℃
Boiling Point
318.6°Cat760mmHg
Refractive Index
n20/D 1.3778
Flash Point
125.7°C
HS Code
29239000
Safety and Handling
Risk Statements
R22;R37/38;R41;R50/53
Safety Statements
S26;S37/39;S60;S61
PackingGroup
I; II; III
Transport
UN 3077
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Akzo Nobel Surface Chemistry AB 2016
BASF Italia S.p.A. 2013
BASF Personal Care and Nutrition GmbH 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 3

Skin corrosion, Category 1C

Serious eye damage, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H311 Toxic in contact with skin

H314 Causes severe skin burns and eye damage

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:319.99648g/mol
  • Molecular Formula:C8H9N3S
  • Exact Mass:319.300578
  • Monoisotopic Mass:319.300578
  • Complexity:181
  • Rotatable Bond Count:15
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:0
  • Heavy Atom Count:21
  • 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:2
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  • Fax:86-25-83453275
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