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Home> Encyclopedia > Hot Product Listed 2   > 2-Oxiranecarboxylicacid, 3-phenyl-, methyl ester, (2S,3R)-
9005-65-6 structure

2-Oxiranecarboxylicacid, 3-phenyl-, methyl ester, (2S,3R)-

Iupac Name:2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl (E)-octadec-9-enoate
CAS No.:9005-65-6
Molecular Weight:604.8128
Molecular Formula:C31H34O15 (isomer)
Names and Identifiers
Synonyms

(2S,3R)-3-Phenyloxiranecarboxylic acidmethyl ester 3beta-phenyloxirane-2alpha-carboxylic acid methyl ester AC1L3THK ccris 1646 glycidic acid, 3-phenyl-, methyl ester, trans- HAFFKTJSQPQAPC-BDAKNGLRSA-N LS-189023 methyl (2s,3r)-3-phenyloxirane-2-carboxylate methyl 3-phenyl-2-oxiranecarboxylate, (e)- oxiranecarboxylic acid,3-phenyl-, methyl ester, (2s-trans)- Oxiranecarboxylicacid, 3-phenyl-, methyl ester, (2S,3R)- (9CI) SCHEMBL8168248 trans-(2s,3r)methylepoxycinnamate UNII-B9T641V58W COMPONENT HAFFKTJSQPQAPC-BDAKNGLRSA-N UNII-J37ORW9V6E COMPONENT HAFFKTJSQPQAPC-BDAKNGLRSA-N ZINC1684701

Inchi
InChI=1/C185H368O86/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-270-271-179-175-264-169-165-259-159-155-254-149-145-249-139-135-244-129-125-239-119-115-234-109-105-229-99-95-224-89-85-219-80-81-220-90-91-225-100-101-230-110-111-235-120-121-240-130-131-245-140-141-250-150-151-255-160-161-260-170-171-265-180-182(266-176-172-261-166-162-256-156-152-251-146-142-246-136-132-241-126-122-236-116-112-231-106-102-226-96-92-221-86-82-216-77-74-213-71-68-210-65-62-207-59-56-204-53-50-201-47-44-198-41-38-195-35-32-192-29-26-189-23-19-186)185-184(268-178-174-263-168-164-258-158-154-253-148-144-248-138-134-243-128-124-238-118-114-233-108-104-228-98-94-223-88-84-218-79-76-215-73-70-212-67-64-209-61-58-206-55-52-203-49-46-200-43-40-197-37-34-194-31-28-191-25-21-188)183(181-269-185)267-177-173-262-167-163-257-157-153-252-147-143-247-137-133-242-127-123-237-117-113-232-107-103-227-97-93-222-87-83-217-78-75-214-72-69-211-66-63-208-60-57-205-54-51-202-48-45-199-42-39-196-36-33-193-30-27-190-24-20-187/h9-10,182-188H,2-8,11-181H2,1H3/b10-9+
InChkey
HDTIFOGXOGLRCB-MDZDMXLPSA-N
Canonical Smiles
CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO
Isomers Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO
Properties
Density
1.59
Melting Point
-21
Boiling Point
183.1°C at 760 mmHg
Refractive Index
1.471-1.473
Flash Point
352.8°C
HS Code
34021300
Safety and Handling
Risk Statements
22-36/37/38-37/38-41
Safety Statements
S24/25
Transport
200kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:604.8128g/mol
  • Molecular Formula:C31H34O15
  • Exact Mass:604.418648
  • Monoisotopic Mass:604.418648
  • Complexity:632
  • Rotatable Bond Count:31
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:10
  • Topological Polar Surface Area:133
  • Heavy Atom Count:42
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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