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Merck
CN

94415

3-Carene

analytical standard

Synonym(s):

δ3-Carene, 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene

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About This Item

Empirical Formula (Hill Notation):
C10H16
CAS Number:
13466-78-9
Molecular Weight:
136.23
NACRES:
NA.24
PubChem Substance ID:
329770337
UNSPSC Code:
85151701
EC Number:
236-719-3
MDL number:
MFCD00001315

Key Documents

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Product Name

3-Carene, analytical standard

InChI key

BQOFWKZOCNGFEC-UHFFFAOYSA-N

InChI

1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4,8-9H,5-6H2,1-3H3

SMILES string

CC1=CCC2C(C1)C2(C)C

grade

analytical standard

assay

≥95.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.474 (lit.)

bp

168-169 °C/705 mmHg (lit.)

density

0.857 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Application

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signalword

Danger

Hazard Classifications

Aquatic Chronic 3 - Asp. Tox. 1 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

116.6 °F - closed cup

flash_point_c

47 °C - closed cup

Regulatory Information

危险化学品
This item has

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL0041
BCCF8969
BCCD1102
BCBW5742
BCBR5901V

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Manish B Shah et al.
Molecular pharmacology, 87(4), 649-659 (2015-01-15)
X-ray crystal structures of complexes of cytochromes CYP2B6 and CYP2A6 with the monoterpene sabinene revealed two distinct binding modes in the active sites. In CYP2B6, sabinene positioned itself with the putative oxidation site located closer to the heme iron. In

Protocols

GC Analysis of Sweet Orange Essential Oil on SLB®-5ms (10 m x 0.10 mm I.D., 0.10 µm), Fast GC Analysis

-β-Farnesene; α-Huµlene; Germacrene D; (+)-Valencene; Bicyclogermacrene; (+)-δ-Cadinene

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