화학 백과사전 / Organic Intermediate / Pharmaceutical Intermediates / Cosmetic Raw Materials

trans-2-Hexenyl acetate

CAS：2497-18-9
MW:142.198
MF：C8H14O2

trans-2-Hexen-l-yl acetate has a pleasant, fruity odor and corresponding taste. This substance may be synthesized by heating at the boil l-bromohexen-2 -ol with sodium acetate and acetic acid. 자세히 보기+

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이름 및 식별자
MSDS 정보
NMR 스펙트럼
화학 데이터 계산
관련 문제
실제 제품 정보

1. 이름 및 식별자

1.1 제품명: trans-2-Hexenyl acetate

1.2 동의어: (2E)-2-Hexen-1-yl acetate; (2E)-2-Hexenyl acetate; (2E)-Hex-2-en-1-yl acetate; (2E)-HEXENYL ACETATE; (E)-2-hexen-1-yl acetate; (E)-2-Hexen-1-ylacetate; (E)-2-Hexenyl acetate; (e)-2-hexenylacetate; (E)-Aceticacidhex-2-enylester; (E)-Hex-2-en-1-ylacetate; (E)-hex-2-enyl acetate; 2-Hexen-1-ol, acetate; 2-Hexen-1-ol, acetate, (2E)-; 2-Hexen-1-ol, acetate, (E)-; 2-hexen-1-olacetate; Acetic Acid trans-2-Hexenyl Ester; E-2-hexenyl acetate; E-hex-2-en-1-yl acetate; EINECS 219-680-7; hex-2-enyl acetate; hex-2-enylacetate; MFCD00009474; RANS-2-HEXENYL ACETATE; T2 HEXENYL ACETATE; trans-2-hexen-1-yl acetate; trans-2-hexenyl; trans-2-hexenyl lactate; trans-hex-2-enyl acetate;

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1.3 CAS No.: 2497-18-9

1.4 CID: 2733294

1.5 EINECS 번호: 233-223-9; 219-680-7

1.6 분자식: CH3CO2CH2CH=CHCH2CH2CH3

1.7 Inchi: InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+

1.8 InchiKey: HRHOWZHRCRZVCU-AATRIKPKSA-N

1.9 교회법에 의거 한 SMILES: CCCC=CCOC(=O)C

1.10 이성질체 SMILES: CCC/C=C/COC(=O)C

2. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H226 Flammable liquid and vapour
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish.
Storage	P403+P235 Store in a well-ventilated place. Keep cool.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

모두 보기

3. NMR 스펙트럼

13C NMR : in CDCl3

13C NMR : Predict

1H NMR : 90 MHz in CDCl3

1H NMR : Predict

IR : CCl4 solution

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

Mass spectrum (electron ionization)

4. 합성 선형

2497-18-9Total: 22 합성 선형

928-95-0 70 공급자

2497-18-9 52 공급자

764-60-3 27 공급자

2497-18-9 52 공급자

모두 보기

5. 전구체 및 제품

업스트림 제품:

35926-04-6

4798-44-1

928-95-0

592-41-6

27829-72-7

2305-21-7

764-60-3

92315-15-6

56922-75-9

34686-76-5

다운스트림 제품:

75-07-0

35926-04-6

123-38-6

77517-66-9

89268-72-4

4417-81-6

81586-82-5

131543-46-9

123-72-8

5371-49-3

38363-29-0

6. 화학 데이터 계산

Molecular Weight：142.198g/mol
Molecular Formula：C₈H₁₄O₂
Compound Is Canonicalized：True
Exact Mass：2
XLogP3-AA：142.099379685
Monoisotopic Mass：142.099379685
Complexity：116
Rotatable Bond Count：5
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：：10
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：1
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICCAAABACIACDSCAAAAAAgAAAICAAAAAgABAAAIQACEAAAgAAIIAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

7. Toltal 51 공급자 자세히 보기

Baoji Guokang Healthchem co.,ltd

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Tel: Update Time:2024/11/15

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Product TRANS-2-HEXENYL ACETATE CAS 2497-18-9

Tianjin Furun Tongda International Trade Co., LTD

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Factory Supply TRANS-2-HEXENYL ACETATE CAS 2497-18-9

Hebei Crovell Biotech Co. Ltd

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Hebei Hongtan Technology Co., Ltd.

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Tel: Update Time:2024/11/08

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Wholesale 99% Purity trans-2-Hexenyl acetate CAS 2497-18-9

Hebei Mojin Biotechnology Co.,Ltd

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8. 관련 문제

: What is TRANS-2-HEXENYL ACETATE and how is it used?Introduction TRANS-2-HEXENYL ACETATE is an important organic compound belonging to the ester class. With a molecular formula of C8H14O2 and a molecular weight of 142.2, it is a colorless to pale yello..; What is TRANS-2-HEXENYL ACETATE and how is it synthesized?Basic Information TRANS-2-HEXENYL ACETATE, also known as trans-2-Hexenyl acetate, has the CAS number 2497-18-9. Its molecular formula is C8H14O2 with a molecular weight of 142.2. It has a melting poin..

9. 실제 제품 정보