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(S,S)-strawberry glycidate 1

flavor and fragrance agents
2D:
3D:
CAS Number: 33530-46-0
FDA UNII: Search
Category: flavor and fragrance agents
IUPAC Name: (S,S)-strawberry glycidate 1
InChI : InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12+/m1/s1
Std.InChI: InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12+/m1/s1
InChIKey : LQKRYVGRPXFFAV-PWSUYJOCBF
Std.InChIKey: LQKRYVGRPXFFAV-PWSUYJOCSA-N
SMILES : CCOC(=O)[C@@H]1[C@](O1)(C)C2=CC=CC=C2
Molar Refractivity : 55.46 ± 0.3 cm3 (est)
Parachor : 454.6 ± 6.0 cm3 (est)
Index of Refraction : 1.524 ± 0.02 (est)
Surface Tension : 39.7 ± 3.0 dyne/cm (est)
Density : 1.139 ± 0.06 g/cm3 (est)
Polarizability : 21.98 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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Physical Properties:

Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
water, 111.3 mg/L @ 25 °C (est)

Cosmetic Information:

None found

Suppliers:

None found

Safety Information:

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Safety References:

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6993490
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
ethyl (2S,3S)-3-methyl-3-phenyloxirane-2-carboxylate

References:

ethyl (2S,3S)-3-methyl-3-phenyloxirane-2-carboxylate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6993490
Pubchem (sid):43595842

Other Information:

Potential Blenders and core components :

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):

not found in nature

Synonyms:

(S,S)-aldehyde C-16
(S,S)-aldehyde C-16 (EMPG)
(S,S)-aldehyde C-16 (so-called)
(S,S)-aldehyde C16
ethyl (2S,3S)-3-methyl-3-phenyloxirane-2-carboxylate
(S,S)-ethyl 3-methyl-3-phenyl glycidate
(S,S)-ethyl 3-methyl-3-phenyl-2-oxiranecarboxylate
(S,S)-ethyl methyl phenyl glycidate
(S,S)-fraise pure
2-oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester, (2S,3S)-rel-
(S,S)-strawberry aldehyde
(S,S)-strawberry pure

Articles:

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