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94-48-4

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94-48-4 Structure

94-48-4 Structure
IdentificationMore
[Name]

2,4,5-TRIMETHYLANILINE
[CAS]

94-48-4
[Synonyms]

1-AMINO-2,4,5-TRIMETHYLBENZENE
2,4,5-TRIMETHYLAMINOBENZENE
2,4,5-TRIMETHYLANILINE
FEMA 2511
GERANYL BENZOATE
PSEUDOCUMIDINE
PSI-CUMIDINE
TIMTEC-BB SBB008592
TRANS-3 7-DIMETHYL-2 6-OCTADIEN-1-OL BENZOATE
3,7-dimethyl-,benzoate,(e)-6-octadien-1-ol
6-Octadien-1-ol,3,7-dimethyl-,benzoate,(E)-2
benzoicacid,geraniolester
benzoicacidgeranylester
geraniolbenzoate
trans-3,7-dimethyl-2,6-octadien-1-ylbenzoate
GERANYL BENZOATE 95+%
2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (2E)-
(E)-3,7-Dimethyl-2,6-octadien-1-ol benzoate
Benzoic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
Benzoic acid (E)-3,7-dimethyl-2,6-octadienyl ester
[EINECS(EC#)]

202-337-0
[Molecular Formula]

C9H13N
[MDL Number]

MFCD00025201
[Molecular Weight]

135.21
[MOL File]

94-48-4.mol
Chemical PropertiesBack Directory
[Boiling point ]

305 °C(lit.)
[density ]

0.996 g/mL at 25 °C(lit.)
[FEMA ]

2511
[refractive index ]

n20/D 1.517(lit.)
[Fp ]

>230 °F
[Odor]

at 100.00 %. sweet amber ylang rose
[Odor Type]

balsamic
[JECFA Number]

860
[LogP]

6.13
[CAS DataBase Reference]

94-48-4(CAS DataBase Reference)
[EPA Substance Registry System]

2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (2E)- (94-48-4)
Safety DataBack Directory
[Hazard Codes ]

C
[WGK Germany ]

2
[RTECS ]

RG5925300
[HazardClass ]

AIR SENSITIVE, CORROSIVE
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Geraniol
Hazard InformationBack Directory
[Description]

Geranyl benzoate has a sweet, light odor reminiscent of ylangylang. It may be synthesized from geraniol and benzoyl chloride in anhydrous pyridine; also from geraniol and benzoyl chloride using the Schotten-Bauman reaction.
[Chemical Properties]

Geranyl benzoate has a sweet, light odor reminiscent of ylang-ylang.
[Occurrence]

Has been reported in ylang ylang oil (Gildemeister & Hoffman, 1960).
[Definition]

ChEBI: Geranyl benzoate is a benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of geraniol. It has a role as a plant metabolite and a fragrance. It is a benzoate ester, a monoterpenoid and an olefinic compound. It is functionally related to a geraniol and a benzoic acid.
[Preparation]

From geraniol and benzoyl chloride in anhydrous pyridine; also from geraniol and benzoyl chloride using the Schotten– Baumman reaction.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,5-TRIMETHYLANILINE(94-48-4)13CNMR
2,4,5-TRIMETHYLANILINE(94-48-4)IR1
2,4,5-TRIMETHYLANILINE(94-48-4)IR2
2,4,5-TRIMETHYLANILINE(94-48-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

94-48-4(sigmaaldrich)
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